In [1]:
# Install dependencies
install.packages("remotes")
Updating HTML index of packages in '.Library'

Making 'packages.html' ...
 done

In [2]:
# Install SAM
remotes::install_github("fishfollower/SAM/stockassessment")
Skipping install of 'stockassessment' from a github remote, the SHA1 (cbf77ca4) has not changed since last install.
  Use `force = TRUE` to force installation

In [3]:
# Clone SAM github repository
system("git clone https://github.com/fishfollower/SAM.git")
In [4]:
# Go into nscodcovar test
setwd("SAM/testmore/herringVar")
In [5]:
# Run demo
source("script.R")
Constructing atomic invpd
Constructing atomic matinv
Constructing atomic invpd
Constructing atomic matinv
Constructing atomic matmul
Constructing atomic invpd
Constructing atomic matinv
Constructing atomic matmul
Optimizing tape... Done
iter: 1  value: 2045806 mgc: 42494.12 ustep: 0.000139956 
iter: 2  value: 1007670 mgc: 12629.48 ustep: 0.0003747683 
iter: 3  value: 691260.1 mgc: 5027.483 ustep: 0.0006135285 
iter: 4  value: 624149.4 mgc: 19679.41 ustep: 0.0002084976 
iter: 5  value: 272867.1 mgc: 2053.782 ustep: 0.003653753 
iter: 6  value: 219504.5 mgc: 4496.645 ustep: 0.000974722 
iter: 7  value: 151562.8 mgc: 14651.36 ustep: 0.001985871 
iter: 8  value: 133390.7 mgc: 3974.889 ustep: 0.0007131684 
iter: 9  value: 43299.19 mgc: 1540.207 ustep: 0.02680254 
iter: 10  value: 36168.62 mgc: 2202.004 ustep: 0.005571751 
iter: 11  value: 35409.22 mgc: 2608.639 ustep: 0.0006062402 
iter: 12  value: 29232.64 mgc: 128.0048 ustep: 0.02471948 
iter: 13  value: 28225.41 mgc: 901.7443 ustep: 0.005331594 
iter: 14  value: 26263.83 mgc: 46.22759 ustep: 0.07311046 
iter: 15  value: 25847.02 mgc: 813.9857 ustep: 0.01950805 
iter: 16  value: 25511.83 mgc: 33.64169 ustep: 0.07250002 
iter: 17  value: 25450.89 mgc: 867.9413 ustep: 0.00975317 
iter: 18  value: 25388.14 mgc: 107.3677 ustep: 0.02567962 
iter: 19  value: 25228.72 mgc: 48.18509 ustep: 0.1603326 
iter: 20  value: 25193.04 mgc: 140.1235 ustep: 0.06193083 
iter: 21  value: 25130.07 mgc: 26.75724 ustep: 0.2489342 
iter: 22  value: 25105.73 mgc: 84.26195 ustep: 0.2921453 
iter: 23  value: 25096.2 mgc: 15.05954 ustep: 0.5405507 
iter: 24  value: 25095.07 mgc: 17.03542 ustep: 0.735248 
iter: 25  value: 25094.95 mgc: 20.79112 ustep: 0.8574803 
iter: 26  value: 25094.94 mgc: 12.15515 ustep: 0.9260097 
iter: 27  value: 25094.92 mgc: 39.57408 ustep: 0.5592046 
iter: 28  value: 25094.92 mgc: 31.28528 ustep: 0.7478251 
iter: 29  value: 25094.9 mgc: 20.04643 ustep: 0.6322172 
iter: 30  value: 25094.88 mgc: 23.08313 ustep: 0.5473321 
iter: 31  value: 25094.88 mgc: 7.118235 ustep: 0.739845 
iter: 32  value: 25094.88 mgc: 0.9323045 ustep: 0.8601564 
iter: 33  value: 25094.88 mgc: 0.02286729 ustep: 0.9274534 
iter: 34  value: 25094.88 mgc: 0.001632104 ustep: 0.9630475 
iter: 35  value: 25094.88 mgc: 4.421294e-05 ustep: 0.9813517 
iter: 36  value: 25094.88 mgc: 6.018776e-07 ustep: 0.9906329 
iter: 37  value: 25094.88 mgc: 1.144493e-08 ustep: 0.9953059 
iter: 38  mgc: 1.099471e-10 
iter: 1  mgc: 1.099471e-10 
Matching hessian patterns... Done
outer mgc:  47902.5 
  0:     26720.660: -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -5.00000 -0.350000 -0.350000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  1.00000  1.00000 -1.00000 -1.00000
iter: 1  value: 4719.958 mgc: 207.8595 ustep: 0.1336527 
iter: 2  value: 4499.573 mgc: 1760.834 ustep: 0.0008877548 
iter: 3  value: 4475.701 mgc: 127.1364 ustep: 0.02989224 
iter: 4  value: 4468.545 mgc: 255.3357 ustep: 0.01179516 
iter: 5  value: 4458.501 mgc: 102.725 ustep: 0.05590472 
iter: 6  value: 4454.562 mgc: 263.1485 ustep: 0.01671833 
iter: 7  value: 4448.175 mgc: 5.619934 ustep: 0.1293864 
iter: 8  value: 4443.242 mgc: 38.38953 ustep: 0.3597673 
iter: 9  value: 4442.326 mgc: 14.50665 ustep: 0.367386 
iter: 10  value: 4441.966 mgc: 107.6547 ustep: 0.05655057 
iter: 11  value: 4441.712 mgc: 0.9739257 ustep: 0.2378799 
iter: 12  value: 4441.47 mgc: 9.388832 ustep: 0.4877805 
iter: 13  value: 4441.411 mgc: 10.06414 ustep: 0.4508129 
iter: 14  value: 4441.371 mgc: 35.47005 ustep: 0.2428576 
iter: 15  value: 4441.344 mgc: 25.75069 ustep: 0.08134256 
iter: 16  value: 4441.317 mgc: 0.5590365 ustep: 0.2852776 
iter: 17  value: 4441.271 mgc: 2.403076 ustep: 0.5341605 
iter: 18  value: 4441.222 mgc: 3.171967 ustep: 0.7308897 
iter: 19  value: 4441.193 mgc: 3.527032 ustep: 0.8549354 
iter: 20  value: 4441.184 mgc: 3.059535 ustep: 0.9246347 
iter: 21  value: 4441.182 mgc: 2.057483 ustep: 0.9615831 
iter: 22  value: 4441.182 mgc: 0.8606051 ustep: 0.9806054 
iter: 23  value: 4441.182 mgc: 0.2182502 ustep: 0.9902562 
iter: 24  value: 4441.182 mgc: 0.03339773 ustep: 0.9951167 
iter: 25  value: 4441.182 mgc: 0.000879279 ustep: 0.9975556 
iter: 26  value: 4441.182 mgc: 1.922056e-06 ustep: 0.9987772 
iter: 27  mgc: 9.577361e-10 
iter: 1  mgc: 9.577361e-10 
outer mgc:  6360.507 
  1:     5644.4055: -5.01745 -5.02136 -5.02052 -5.01820 -5.01217 -5.02251 -5.04843 -5.02354 -5.02185 -5.01825 -5.01488 -5.01135 -5.00658 -5.00431 -5.00148 -4.99652 -0.267876 0.643361 0.00990818 -0.00286074 -0.00130461 -0.000334645 0.000187594 0.000390823 0.000466412 0.000566923 0.000780518 0.00102477 0.00238246  1.00443  1.00189 -0.993597 -0.998152
iter: 1  value: 2137.87 mgc: 24.41634 ustep: 1 
iter: 2  value: 2137.326 mgc: 77.63524 ustep: 0.03522464 
iter: 3  value: 2137.314 mgc: 2.55827 ustep: 0.1877635 
iter: 4  value: 2137.311 mgc: 1.237436 ustep: 0.4333735 
iter: 5  value: 2137.311 mgc: 0.2177874 ustep: 0.6583453 
iter: 6  value: 2137.311 mgc: 0.03458038 ustep: 0.8114037 
iter: 7  value: 2137.311 mgc: 0.001652003 ustep: 0.9007894 
iter: 8  value: 2137.311 mgc: 0.0002144335 ustep: 0.9491043 
iter: 9  value: 2137.311 mgc: 0.0001242025 ustep: 0.9742224 
iter: 10  value: 2137.311 mgc: 3.012361e-05 ustep: 0.9870284 
iter: 11  value: 2137.311 mgc: 2.318267e-06 ustep: 0.9934937 
iter: 12  value: 2137.311 mgc: 5.336222e-08 ustep: 0.9967418 
iter: 13  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 1.926878e-09 
iter: 1  mgc: 1.926878e-09 
outer mgc:  4299.431 
  2:     3268.0191: -5.02079 -5.02459 -5.02358 -5.02113 -5.01387 -5.02369 -5.05878 -5.02601 -5.02368 -5.01950 -5.01585 -5.01178 -5.00633 -5.00394 -5.00084 -4.99372 0.706139 0.819980 0.128153 -0.0356773 -0.0191655 -0.00562651 0.00192042 0.00553970 0.00673158 0.00801340 0.00976426 0.0125606 0.0330387  1.05207  1.02793 -0.983353 -0.984256
iter: 1  value: 889.1382 mgc: 20.46607 ustep: 0.4367355 
iter: 2  value: 856.9133 mgc: 562.7847 ustep: 0.004211849 
iter: 3  value: 855.1193 mgc: 5.646242 ustep: 0.06499227 
iter: 4  value: 851.5773 mgc: 5.299528 ustep: 0.2550103 
iter: 5  value: 850.3301 mgc: 18.68105 ustep: 0.1611948 
iter: 6  value: 848.578 mgc: 3.630575 ustep: 0.4015505 
iter: 7  value: 848.2288 mgc: 32.47881 ustep: 0.1179439 
iter: 8  value: 847.6744 mgc: 1.142712 ustep: 0.3434953 
iter: 9  value: 847.2027 mgc: 18.86887 ustep: 0.5861261 
iter: 10  value: 847.1083 mgc: 7.458355 ustep: 0.7656122 
iter: 11  value: 846.9647 mgc: 57.11241 ustep: 0.4053077 
iter: 12  value: 846.9426 mgc: 1.770331 ustep: 0.3971951 
iter: 13  value: 846.9176 mgc: 7.519605 ustep: 0.6302711 
iter: 14  value: 846.9017 mgc: 4.736657 ustep: 0.7939168 
iter: 15  value: 846.8836 mgc: 13.79481 ustep: 0.6698284 
iter: 16  value: 846.8762 mgc: 1.95659 ustep: 0.5738542 
iter: 17  value: 846.8663 mgc: 4.878757 ustep: 0.7575559 
iter: 18  value: 846.858 mgc: 3.362931 ustep: 0.8703898 
iter: 19  value: 846.8494 mgc: 11.62839 ustep: 0.7409926 
iter: 20  value: 846.8465 mgc: 1.107849 ustep: 0.6268732 
iter: 21  value: 846.8421 mgc: 3.071961 ustep: 0.7917741 
iter: 22  value: 846.8373 mgc: 1.230372 ustep: 0.8898279 
iter: 23  value: 846.8324 mgc: 6.368774 ustep: 0.9433126 
iter: 24  value: 846.8301 mgc: 6.53749 ustep: 0.3581311 
iter: 25  value: 846.8293 mgc: 1.200315 ustep: 0.5984808 
iter: 26  value: 846.8282 mgc: 0.5726395 ustep: 0.773638 
iter: 27  value: 846.8265 mgc: 1.535633 ustep: 0.879579 
iter: 28  value: 846.8245 mgc: 0.6968669 ustep: 0.9378649 
iter: 29  value: 846.8225 mgc: 2.459884 ustep: 0.9684374 
iter: 30  value: 846.8223 mgc: 0.7693186 ustep: 0.8737927 
iter: 31  value: 846.8218 mgc: 3.696726 ustep: 0.7445343 
iter: 32  value: 846.8214 mgc: 0.9690052 ustep: 0.8628777 
iter: 33  value: 846.8213 mgc: 1.335124 ustep: 0.7333169 
iter: 34  value: 846.821 mgc: 0.04798192 ustep: 0.8563536 
iter: 35  value: 846.8207 mgc: 0.4067206 ustep: 0.9254012 
iter: 36  value: 846.8204 mgc: 0.237299 ustep: 0.9619816 
iter: 37  value: 846.8201 mgc: 0.5648872 ustep: 0.9808085 
iter: 38  value: 846.82 mgc: 0.332632 ustep: 0.9903587 
iter: 39  value: 846.8199 mgc: 0.7126882 ustep: 0.9951682 
iter: 40  value: 846.8199 mgc: 0.5531025 ustep: 0.777944 
iter: 41  value: 846.8199 mgc: 0.02476291 ustep: 0.8820231 
iter: 42  value: 846.8199 mgc: 0.02354684 ustep: 0.939167 
iter: 43  value: 846.8199 mgc: 0.02050502 ustep: 0.9691094 
iter: 44  value: 846.8199 mgc: 0.01778074 ustep: 0.9844351 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.01533858 
iter: 1  value: 846.8199 mgc: 0.01533858 ustep: 1 
iter: 2  value: 846.8199 mgc: 0.01866318 ustep: 1 
iter: 3  value: 846.8199 mgc: 0.0001259993 ustep: 1 
iter: 4  value: 846.8199 mgc: 1.239635e-06 ustep: 1 
iter: 5  mgc: 8.515766e-11 
outer mgc:  350.2421 
  3:     1650.3684: -5.03961 -5.04757 -5.04560 -5.04074 -5.02703 -5.04761 -5.11053 -5.05151 -5.04729 -5.03916 -5.03191 -5.02403 -5.01360 -5.00873 -5.00272 -4.98994 0.808388  1.80983 0.141330 -0.0570293 -0.0307619 -0.00890716 0.00324714 0.00905649 0.0109382 0.0128687 0.0155376 0.0198750 0.0530837  1.08003  1.04436 -0.977689 -0.976161
iter: 1  value: 734.3846 mgc: 2.905872 ustep: 0.4367355 
iter: 2  value: 730.1822 mgc: 289.8995 ustep: 0.06532755 
iter: 3  value: 729.274 mgc: 0.7329981 ustep: 0.255667 
iter: 4  value: 728.2107 mgc: 32.96788 ustep: 0.5056847 
iter: 5  value: 727.7042 mgc: 17.38785 ustep: 0.4625005 
iter: 6  value: 727.2654 mgc: 20.14047 ustep: 0.6801059 
iter: 7  value: 727.1162 mgc: 20.8243 ustep: 0.5812568 
iter: 8  value: 727.0647 mgc: 37.80618 ustep: 0.08587368 
iter: 9  value: 727.016 mgc: 1.206429 ustep: 0.2931128 
iter: 10  value: 726.9469 mgc: 2.170966 ustep: 0.5414448 
iter: 11  value: 726.8884 mgc: 3.876527 ustep: 0.7358557 
iter: 12  value: 726.8675 mgc: 3.054892 ustep: 0.6228894 
iter: 13  value: 726.8606 mgc: 3.314936 ustep: 0.7892545 
iter: 14  value: 726.8476 mgc: 17.45383 ustep: 0.1280165 
iter: 15  value: 726.8448 mgc: 0.1399733 ustep: 0.3578581 
iter: 16  value: 726.8405 mgc: 0.9561398 ustep: 0.5982526 
iter: 17  value: 726.8352 mgc: 2.72008 ustep: 0.7734906 
iter: 18  value: 726.8297 mgc: 2.046983 ustep: 0.8794952 
iter: 19  value: 726.8272 mgc: 3.592476 ustep: 0.7505663 
iter: 20  value: 726.8243 mgc: 1.046385 ustep: 0.8663657 
iter: 21  value: 726.8227 mgc: 5.501506 ustep: 0.4869767 
iter: 22  value: 726.8215 mgc: 0.150726 ustep: 0.6978674 
iter: 23  value: 726.8195 mgc: 2.125852 ustep: 0.835401 
iter: 24  value: 726.8185 mgc: 0.7410585 ustep: 0.7066911 
iter: 25  value: 726.8169 mgc: 0.8084127 ustep: 0.8406652 
iter: 26  value: 726.8162 mgc: 1.158424 ustep: 0.7116343 
iter: 27  value: 726.8149 mgc: 0.2772861 ustep: 0.8435998 
iter: 28  value: 726.8143 mgc: 0.9863105 ustep: 0.7144203 
iter: 29  value: 726.8133 mgc: 0.1255608 ustep: 0.8452494 
iter: 30  value: 726.8118 mgc: 0.5368925 ustep: 0.9193825 
iter: 31  value: 726.8113 mgc: 0.7088295 ustep: 0.7970619 
iter: 32  value: 726.811 mgc: 0.7188511 ustep: 0.6725094 
iter: 33  value: 726.8105 mgc: 0.110306 ustep: 0.8200847 
iter: 34  value: 726.8097 mgc: 0.2122105 ustep: 0.9055947 
iter: 35  value: 726.8086 mgc: 0.3022532 ustep: 0.9516322 
iter: 36  value: 726.8083 mgc: 0.4886483 ustep: 0.8434511 
iter: 37  value: 726.8079 mgc: 0.07020467 ustep: 0.9184041 
iter: 38  value: 726.8077 mgc: 0.7097498 ustep: 0.7958082 
iter: 39  value: 726.8075 mgc: 0.1827432 ustep: 0.8920916 
iter: 40  value: 726.8071 mgc: 0.4045056 ustep: 0.9445116 
iter: 41  value: 726.807 mgc: 0.6065867 ustep: 0.8321749 
iter: 42  value: 726.8068 mgc: 0.2301873 ustep: 0.912245 
iter: 43  value: 726.8067 mgc: 0.336057 ustep: 0.9551197 
iter: 44  value: 726.8066 mgc: 1.329632 ustep: 0.6116925 
iter: 45  value: 726.8065 mgc: 0.00464961 ustep: 0.7821295 
iter: 46  value: 726.8065 mgc: 0.005389011 ustep: 0.8843924 
iter: 47  value: 726.8064 mgc: 0.01696426 ustep: 0.9404274 
iter: 48  value: 726.8063 mgc: 0.06142288 ustep: 0.9697594 
iter: 49  value: 726.8062 mgc: 0.1243131 ustep: 0.9847651 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.1418044 
iter: 1  value: 726.8062 mgc: 0.1418044 ustep: 1 
iter: 2  value: 726.8062 mgc: 0.282898 ustep: 0.989901 
iter: 3  value: 726.8062 mgc: 0.1484499 ustep: 0.9949382 
iter: 4  value: 726.8062 mgc: 0.1456828 ustep: 0.9974661 
iter: 5  value: 726.8062 mgc: 0.02243069 ustep: 0.9987324 
iter: 6  value: 726.8062 mgc: 0.002272117 ustep: 0.9993661 
iter: 7  value: 726.8062 mgc: 1.148103e-05 ustep: 0.999683 
iter: 8  mgc: 8.335236e-10 
outer mgc:  194.0345 
  4:     1494.4291: -5.08461 -5.10143 -5.09697 -5.08657 -5.05774 -5.10592 -5.23474 -5.11035 -5.10065 -5.08304 -5.06792 -5.05184 -5.03043 -5.02034 -5.00838 -4.98313  1.60735  2.04235 0.254474 -0.248173 -0.174357 -0.0699612 -0.00312891 0.0405220 0.0568631 0.0706378 0.0789257 0.0986272 0.341789  1.21127  1.27505 -1.12049 -0.923284
iter: 1  value: 472.2083 mgc: 6.152353 ustep: 0.4367355 
iter: 2  value: 459.5986 mgc: 346.3493 ustep: 0.1263996 
iter: 3  value: 457.8297 mgc: 1.956649 ustep: 0.3555917 
iter: 4  value: 456.9605 mgc: 18.84726 ustep: 0.5963555 
iter: 5  value: 456.8097 mgc: 6.437362 ustep: 0.5227301 
iter: 6  value: 456.7373 mgc: 3.238197 ustep: 0.7230285 
iter: 7  value: 456.7251 mgc: 5.744103 ustep: 0.3779181 
iter: 8  value: 456.7074 mgc: 0.7677887 ustep: 0.614789 
iter: 9  value: 456.686 mgc: 4.977487 ustep: 0.7841064 
iter: 10  value: 456.6774 mgc: 2.348627 ustep: 0.661569 
iter: 11  value: 456.6741 mgc: 5.251022 ustep: 0.3426657 
iter: 12  value: 456.672 mgc: 4.240061 ustep: 0.356084 
iter: 13  value: 456.6697 mgc: 7.095877 ustep: 0.2030845 
iter: 14  value: 456.6665 mgc: 0.07038186 ustep: 0.4507039 
iter: 15  value: 456.6603 mgc: 0.4898636 ustep: 0.6713777 
iter: 16  value: 456.6515 mgc: 1.396584 ustep: 0.8193945 
iter: 17  value: 456.6476 mgc: 1.820132 ustep: 0.6920568 
iter: 18  value: 456.6424 mgc: 0.4449313 ustep: 0.8319163 
iter: 19  value: 456.6407 mgc: 4.951416 ustep: 0.2620007 
iter: 20  value: 456.6395 mgc: 0.01390419 ustep: 0.5119089 
iter: 21  value: 456.6372 mgc: 0.1935529 ustep: 0.7155065 
iter: 22  value: 456.6335 mgc: 0.6497459 ustep: 0.8458916 
iter: 23  value: 456.632 mgc: 0.9218048 ustep: 0.7166117 
iter: 24  value: 456.6296 mgc: 0.2749381 ustep: 0.8465445 
iter: 25  value: 456.6286 mgc: 1.30661 ustep: 0.7172386 
iter: 26  value: 456.6269 mgc: 0.08413264 ustep: 0.8469147 
iter: 27  value: 456.6263 mgc: 1.080345 ustep: 0.7175945 
iter: 28  value: 456.6252 mgc: 0.07984449 ustep: 0.8471248 
iter: 29  value: 456.6238 mgc: 0.5778038 ustep: 0.9204018 
iter: 30  value: 456.6226 mgc: 0.4005203 ustep: 0.9593798 
iter: 31  value: 456.6223 mgc: 0.9242462 ustep: 0.8566712 
iter: 32  value: 456.622 mgc: 0.04944112 ustep: 0.9255728 
iter: 33  value: 456.6218 mgc: 0.4937531 ustep: 0.9620707 
iter: 34  value: 456.6216 mgc: 0.1640319 ustep: 0.980854 
iter: 35  value: 456.6216 mgc: 0.3704456 ustep: 0.9903817 
iter: 36  value: 456.6216 mgc: 0.08639588 ustep: 0.9951797 
iter: 37  value: 456.6216 mgc: 0.06955047 ustep: 0.9975872 
iter: 38  value: 456.6216 mgc: 0.004551444 ustep: 0.998793 
iter: 39  value: 456.6216 mgc: 0.0001519879 ustep: 0.9993964 
iter: 40  value: 456.6216 mgc: 2.194319e-07 ustep: 0.9996982 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 1.436501e-10 
iter: 1  mgc: 1.436501e-10 
outer mgc:  221.4737 
  5:     1441.0402: -5.22745 -5.27575 -5.26368 -5.23532 -5.15936 -5.29054 -5.62030 -5.30367 -5.27995 -5.23364 -5.19191 -5.14905 -5.09215 -5.06331 -5.03037 -4.96971  1.74097  1.65528 0.322435 -0.507558 -0.261556 -0.0522283 0.0489239 0.0971390 0.119227 0.145762 0.155933 0.162101 0.140622  1.17544  1.15193 -1.61519 -1.01450
iter: 1  value: 1019.492 mgc: 41.38881 ustep: 0.4367355 
iter: 2  value: 367.5305 mgc: 1227.908 ustep: 0.004211849 
iter: 3  value: 361.7781 mgc: 16.62722 ustep: 0.06499227 
iter: 4  value: 359.0147 mgc: 4.975824 ustep: 0.2550103 
iter: 5  value: 358.5052 mgc: 8.476856 ustep: 0.505035 
iter: 6  value: 358.4006 mgc: 6.073882 ustep: 0.4620756 
iter: 7  value: 358.3354 mgc: 1.90488 ustep: 0.6797935 
iter: 8  value: 358.3214 mgc: 15.5923 ustep: 0.1954224 
iter: 9  value: 358.307 mgc: 0.1813428 ustep: 0.4421219 
iter: 10  value: 358.2872 mgc: 3.137492 ustep: 0.664956 
iter: 11  value: 358.2642 mgc: 3.39496 ustep: 0.8154668 
iter: 12  value: 358.2386 mgc: 4.584538 ustep: 0.9030417 
iter: 13  value: 358.2155 mgc: 3.49945 ustep: 0.95029 
iter: 14  value: 358.2013 mgc: 6.563115 ustep: 0.9748307 
iter: 15  value: 358.1989 mgc: 3.693051 ustep: 0.6643426 
iter: 16  value: 358.1964 mgc: 4.52876 ustep: 0.8150906 
iter: 17  value: 358.1945 mgc: 2.395233 ustep: 0.9028334 
iter: 18  value: 358.1915 mgc: 7.754113 ustep: 0.9501805 
iter: 19  value: 358.1906 mgc: 1.895 ustep: 0.6013054 
iter: 20  value: 358.1898 mgc: 2.891573 ustep: 0.7754613 
iter: 21  value: 358.189 mgc: 1.326232 ustep: 0.8806148 
iter: 22  value: 358.188 mgc: 4.145523 ustep: 0.9384169 
iter: 23  value: 358.1877 mgc: 0.6829538 ustep: 0.8230628 
iter: 24  value: 358.1871 mgc: 3.506398 ustep: 0.9072374 
iter: 25  value: 358.1869 mgc: 0.4456183 ustep: 0.781965 
iter: 26  value: 358.1866 mgc: 1.83942 ustep: 0.8842994 
iter: 27  value: 358.1864 mgc: 0.5258578 ustep: 0.9403779 
iter: 28  value: 358.1861 mgc: 2.344285 ustep: 0.9697339 
iter: 29  value: 358.186 mgc: 0.2119587 ustep: 0.8764303 
iter: 30  value: 358.1859 mgc: 1.053639 ustep: 0.936185 
iter: 31  value: 358.1859 mgc: 0.2049466 ustep: 0.9675698 
iter: 32  value: 358.1858 mgc: 0.841791 ustep: 0.9836529 
iter: 33  value: 358.1858 mgc: 0.08802991 ustep: 0.9917936 
iter: 34  value: 358.1858 mgc: 0.3927733 ustep: 0.9958887 
iter: 35  value: 358.1858 mgc: 0.01501157 ustep: 0.9979425 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.0182519 
iter: 1  value: 358.1858 mgc: 0.0182519 ustep: 1 
iter: 2  value: 358.1858 mgc: 0.0001070516 ustep: 1 
iter: 3  value: 358.1858 mgc: 2.440099e-07 ustep: 1 
mgc: 9.298873e-11 
outer mgc:  78.6421 
  6:     1409.3301: -5.38776 -5.46633 -5.44202 -5.39477 -5.27110 -5.45396 -6.04395 -5.51053 -5.46819 -5.39151 -5.32287 -5.25366 -5.16062 -5.11117 -5.05587 -4.96130  1.83668  1.75631 0.385659 -0.451081 -0.162924 -0.0663718 -0.0253947 0.0144991 0.0405260 0.0603379 0.0829285 0.115770 0.258097 0.676482  1.23649 -2.03854 -1.07937
iter: 1  value: 1287.553 mgc: 35.58927 ustep: 0.0692153 
iter: 2  value: 951.8298 mgc: 2659.514 ustep: 0.0374424 
iter: 3  value: 836.8373 mgc: 26.98563 ustep: 0.1019815 
iter: 4  value: 721.9543 mgc: 515.7929 ustep: 0.09169891 
iter: 5  value: 694.0569 mgc: 32.23695 ustep: 0.302888 
iter: 6  value: 596.7166 mgc: 930.1569 ustep: 0.006221173 
iter: 7  value: 580.2291 mgc: 6.616372 ustep: 0.07896652 
iter: 8  value: 554.2974 mgc: 16.09766 ustep: 0.2810817 
iter: 9  value: 549.3066 mgc: 41.6406 ustep: 0.09008506 
iter: 10  value: 542.2985 mgc: 3.384409 ustep: 0.3002117 
iter: 11  value: 541.0684 mgc: 27.48286 ustep: 0.09445179 
iter: 12  value: 538.8528 mgc: 0.9018003 ustep: 0.3073994 
iter: 13  value: 538.1374 mgc: 10.5178 ustep: 0.1829715 
iter: 14  value: 536.8945 mgc: 1.698744 ustep: 0.4278089 
iter: 15  value: 536.6621 mgc: 13.75444 ustep: 0.1242336 
iter: 16  value: 536.1202 mgc: 0.4333822 ustep: 0.3525326 
iter: 17  value: 535.7138 mgc: 10.67053 ustep: 0.3626139 
iter: 18  value: 535.1677 mgc: 3.856746 ustep: 0.6022141 
iter: 19  value: 535.0596 mgc: 24.85538 ustep: 0.04565736 
iter: 20  value: 534.9599 mgc: 0.1889164 ustep: 0.2137545 
iter: 21  value: 534.7283 mgc: 2.62979 ustep: 0.4623896 
iter: 22  value: 534.5658 mgc: 6.975758 ustep: 0.4342927 
iter: 23  value: 534.3147 mgc: 2.389878 ustep: 0.659043 
iter: 24  value: 534.2754 mgc: 13.37322 ustep: 0.09908995 
iter: 25  value: 534.2173 mgc: 0.1573103 ustep: 0.3148541 
iter: 26  value: 534.0918 mgc: 1.443089 ustep: 0.5611625 
iter: 27  value: 534.0521 mgc: 6.578714 ustep: 0.2922164 
iter: 28  value: 533.9613 mgc: 0.613758 ustep: 0.5406164 
iter: 29  value: 533.8984 mgc: 5.412776 ustep: 0.4854543 
iter: 30  value: 533.7829 mgc: 4.596664 ustep: 0.6967758 
iter: 31  value: 533.7637 mgc: 12.4399 ustep: 0.1063674 
iter: 32  value: 533.7393 mgc: 0.07910043 ustep: 0.3262076 
iter: 33  value: 533.68 mgc: 0.8423042 ustep: 0.5711887 
iter: 34  value: 533.6385 mgc: 4.654717 ustep: 0.5057781 
iter: 35  value: 533.5571 mgc: 1.7565 ustep: 0.7112097 
iter: 36  value: 533.5351 mgc: 9.096197 ustep: 0.3707943 
iter: 37  value: 533.489 mgc: 0.4701501 ustep: 0.6089679 
iter: 38  value: 533.4579 mgc: 4.338852 ustep: 0.5313169 
iter: 39  value: 533.3964 mgc: 1.378433 ustep: 0.728942 
iter: 40  value: 533.3807 mgc: 7.265144 ustep: 0.3815537 
iter: 41  value: 533.3471 mgc: 0.3513494 ustep: 0.6177386 
iter: 42  value: 533.3245 mgc: 2.925801 ustep: 0.5373286 
iter: 43  value: 533.2788 mgc: 1.026826 ustep: 0.7330537 
iter: 44  value: 533.2678 mgc: 4.980514 ustep: 0.3841111 
iter: 45  value: 533.2432 mgc: 0.2488592 ustep: 0.619805 
iter: 46  value: 533.1968 mgc: 1.815646 ustep: 0.7872982 
iter: 47  value: 533.1737 mgc: 4.346107 ustep: 0.6642396 
iter: 48  value: 533.1313 mgc: 0.9927857 ustep: 0.8150274 
iter: 49  value: 533.1229 mgc: 5.258982 ustep: 0.441529 
iter: 50  value: 533.1056 mgc: 0.1694953 ustep: 0.6645101 
iter: 51  value: 533.073 mgc: 1.191216 ustep: 0.8151933 
iter: 52  value: 533.0578 mgc: 3.005417 ustep: 0.6883069 
iter: 53  value: 533.0292 mgc: 0.6174069 ustep: 0.8296596 
iter: 54  value: 533.0164 mgc: 2.911039 ustep: 0.7013758 
iter: 55  value: 532.9924 mgc: 0.4513278 ustep: 0.8374981 
iter: 56  value: 532.9819 mgc: 2.206702 ustep: 0.7086521 
iter: 57  value: 532.9619 mgc: 0.3427178 ustep: 0.8418306 
iter: 58  value: 532.9296 mgc: 1.545208 ustep: 0.9175215 
iter: 59  value: 532.8866 mgc: 2.169624 ustep: 0.9578776 
iter: 60  value: 532.8848 mgc: 2.902553 ustep: 0.3817896 
iter: 61  value: 532.882 mgc: 0.01856691 ustep: 0.6179295 
iter: 62  value: 532.8762 mgc: 0.1056172 ustep: 0.7861063 
iter: 63  value: 532.8657 mgc: 0.3640682 ustep: 0.8866377 
iter: 64  value: 532.8496 mgc: 0.8367829 ustep: 0.9416202 
iter: 65  value: 532.8303 mgc: 1.243663 ustep: 0.9703742 
iter: 66  value: 532.8148 mgc: 1.501234 ustep: 0.9850772 
iter: 67  value: 532.8077 mgc: 1.60543 ustep: 0.9925113 
iter: 68  value: 532.806 mgc: 1.342457 ustep: 0.996249 
iter: 69  value: 532.8057 mgc: 0.9417276 ustep: 0.9981229 
iter: 70  value: 532.8057 mgc: 0.3216886 ustep: 0.9990611 
iter: 71  value: 532.8057 mgc: 0.0616443 ustep: 0.9995305 
iter: 72  value: 532.8057 mgc: 0.001548052 ustep: 0.9997652 
iter: 73  value: 532.8057 mgc: 2.886849e-06 ustep: 0.9998826 
iter: 74  mgc: 4.725798e-10 
iter: 1  value: 441.191 mgc: 10.94923 ustep: 0.4367355 
iter: 2  value: 363.329 mgc: 681.6562 ustep: 0.03321209 
iter: 3  value: 361.6817 mgc: 0.9243718 ustep: 0.1823236 
iter: 4  value: 361.1607 mgc: 4.437244 ustep: 0.427051 
iter: 5  value: 361.053 mgc: 3.034912 ustep: 0.4113385 
iter: 6  value: 360.9756 mgc: 1.480091 ustep: 0.6413926 
iter: 7  value: 360.9402 mgc: 3.343311 ustep: 0.8008898 
iter: 8  value: 360.926 mgc: 2.840125 ustep: 0.894935 
iter: 9  value: 360.9225 mgc: 2.381122 ustep: 0.7675774 
iter: 10  value: 360.9189 mgc: 0.7438291 ustep: 0.8761274 
iter: 11  value: 360.9181 mgc: 2.640331 ustep: 0.2907094 
iter: 12  value: 360.9175 mgc: 0.01284491 ustep: 0.5392209 
iter: 13  value: 360.9163 mgc: 0.08643085 ustep: 0.7343432 
iter: 14  value: 360.9145 mgc: 0.3159257 ustep: 0.8569526 
iter: 15  value: 360.9121 mgc: 0.6670763 ustep: 0.9257247 
iter: 16  value: 360.9098 mgc: 0.7969813 ustep: 0.9621497 
iter: 17  value: 360.9095 mgc: 0.9679664 ustep: 0.6280368 
iter: 18  value: 360.9092 mgc: 0.06036474 ustep: 0.7925085 
iter: 19  value: 360.9087 mgc: 0.2268152 ustep: 0.8902404 
iter: 20  value: 360.9081 mgc: 0.3369008 ustep: 0.9435312 
iter: 21  value: 360.9075 mgc: 0.4316217 ustep: 0.9713582 
iter: 22  value: 360.9072 mgc: 0.4559727 ustep: 0.9855765 
iter: 23  value: 360.9071 mgc: 0.4405598 ustep: 0.9927628 
iter: 24  value: 360.907 mgc: 0.3180838 ustep: 0.9963752 
iter: 25  value: 360.907 mgc: 0.2222631 ustep: 0.9981861 
iter: 26  value: 360.907 mgc: 0.07968535 ustep: 0.9990927 
iter: 27  value: 360.907 mgc: 0.02058241 ustep: 0.9995463 
iter: 28  value: 360.907 mgc: 0.0007632801 ustep: 0.9997732 
iter: 29  value: 360.907 mgc: 2.472727e-06 ustep: 0.9998866 
iter: 30  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 2.099099e-10 
iter: 1  mgc: 2.099099e-10 
outer mgc:  154.3477 
  7:     1383.1891: -5.41100 -5.49117 -5.46421 -5.41473 -5.28606 -5.47529 -6.10534 -5.53563 -5.48806 -5.40721 -5.33647 -5.26566 -5.16993 -5.11974 -5.06309 -4.96905  1.87338  1.88962 0.397347 -0.538563 -0.287431 -0.157531 -0.0347086 0.0554676 0.0961708 0.133824 0.159344 0.189821 0.260309 0.831587  1.23799 -2.04249 -1.09201
iter: 1  value: 297.6494 mgc: 5.474202 ustep: 0.6827823 
iter: 2  value: 275.5967 mgc: 440.6598 ustep: 0.003409796 
iter: 3  value: 275.5102 mgc: 4.359477 ustep: 0.05848762 
iter: 4  value: 275.414 mgc: 0.4154436 ustep: 0.2419179 
iter: 5  value: 275.3737 mgc: 5.136954 ustep: 0.2871616 
iter: 6  value: 275.3411 mgc: 2.671372 ustep: 0.535921 
iter: 7  value: 275.3336 mgc: 8.855579 ustep: 0.2804961 
iter: 8  value: 275.3248 mgc: 0.7886821 ustep: 0.5296659 
iter: 9  value: 275.3219 mgc: 6.723984 ustep: 0.2776375 
iter: 10  value: 275.3176 mgc: 0.4488526 ustep: 0.5269605 
iter: 11  value: 275.3149 mgc: 4.199327 ustep: 0.4764525 
iter: 12  value: 275.3115 mgc: 1.014378 ustep: 0.6902863 
iter: 13  value: 275.3099 mgc: 6.061119 ustep: 0.3586098 
iter: 14  value: 275.308 mgc: 0.2763343 ustep: 0.5988805 
iter: 15  value: 275.3067 mgc: 2.797959 ustep: 0.5244439 
iter: 16  value: 275.3048 mgc: 0.6389877 ustep: 0.7242126 
iter: 17  value: 275.3041 mgc: 3.422527 ustep: 0.3786422 
iter: 18  value: 275.3031 mgc: 0.1572474 ustep: 0.6153776 
iter: 19  value: 275.3015 mgc: 1.213527 ustep: 0.7844816 
iter: 20  value: 275.3008 mgc: 1.553924 ustep: 0.6618822 
iter: 21  value: 275.2996 mgc: 0.5332362 ustep: 0.8135801 
iter: 22  value: 275.299 mgc: 1.740918 ustep: 0.6868762 
iter: 23  value: 275.2982 mgc: 0.2275819 ustep: 0.8287971 
iter: 24  value: 275.2978 mgc: 1.289072 ustep: 0.7005838 
iter: 25  value: 275.2972 mgc: 0.1283003 ustep: 0.8370251 
iter: 26  value: 275.2965 mgc: 0.7123558 ustep: 0.9148993 
iter: 27  value: 275.2959 mgc: 0.3285268 ustep: 0.956508 
iter: 28  value: 275.2958 mgc: 1.14251 ustep: 0.8516397 
iter: 29  value: 275.2957 mgc: 0.1729436 ustep: 0.922851 
iter: 30  value: 275.2955 mgc: 0.4808425 ustep: 0.9606553 
iter: 31  value: 275.2955 mgc: 0.08989133 ustep: 0.9801322 
iter: 32  value: 275.2955 mgc: 0.2315187 ustep: 0.9900173 
iter: 33  value: 275.2955 mgc: 0.04746762 ustep: 0.9949966 
iter: 34  value: 275.2955 mgc: 0.02378964 ustep: 0.9974954 
iter: 35  value: 275.2955 mgc: 0.001024808 ustep: 0.9987471 
iter: 36  value: 275.2955 mgc: 1.323953e-05 ustep: 0.9993734 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 1.955479e-08 
iter: 1  value: 275.2955 mgc: 1.955479e-08 ustep: 1 
iter: 2  mgc: 7.289813e-11 
outer mgc:  150.063 
  8:     1367.8839: -5.44344 -5.52697 -5.49678 -5.44408 -5.30788 -5.49881 -6.18971 -5.57175 -5.51885 -5.43317 -5.35875 -5.28454 -5.18353 -5.13061 -5.07061 -4.97240  1.89240  1.63193 0.410948 -0.556365 -0.324413 -0.155853 -0.000479191 0.0959462 0.139546 0.183570 0.215288 0.249779 0.295922 0.888329  1.25901 -2.06695 -1.10937
iter: 1  value: 286.5852 mgc: 7.280967 ustep: 0.2494656 
iter: 2  value: 280.7661 mgc: 470.3558 ustep: 0.002697912 
iter: 3  value: 279.5839 mgc: 3.657856 ustep: 0.05203624 
iter: 4  value: 277.6181 mgc: 7.021325 ustep: 0.2281917 
iter: 5  value: 277.3691 mgc: 41.20681 ustep: 0.0397701 
iter: 6  value: 276.8471 mgc: 0.8543562 ustep: 0.1995045 
iter: 7  value: 276.7153 mgc: 26.6311 ustep: 0.071292 
iter: 8  value: 276.4372 mgc: 0.8338395 ustep: 0.2670789 
iter: 9  value: 276.3709 mgc: 19.81924 ustep: 0.08688805 
iter: 10  value: 276.232 mgc: 0.4749588 ustep: 0.2948383 
iter: 11  value: 276.2011 mgc: 11.62117 ustep: 0.09322481 
iter: 12  value: 276.1278 mgc: 0.3442397 ustep: 0.3053968 
iter: 13  value: 276.0995 mgc: 6.745701 ustep: 0.1821438 
iter: 14  value: 276.0471 mgc: 0.8529569 ustep: 0.4268404 
iter: 15  value: 276.0364 mgc: 9.214403 ustep: 0.1239994 
iter: 16  value: 276.0125 mgc: 0.2037145 ustep: 0.3522003 
iter: 17  value: 275.9945 mgc: 3.877409 ustep: 0.3623944 
iter: 18  value: 275.9681 mgc: 1.926557 ustep: 0.6020318 
iter: 19  value: 275.9606 mgc: 11.57164 ustep: 0.170476 
iter: 20  value: 275.9492 mgc: 0.1222002 ustep: 0.4129462 
iter: 21  value: 275.94 mgc: 3.000708 ustep: 0.4021677 
iter: 22  value: 275.9233 mgc: 1.61571 ustep: 0.6342035 
iter: 23  value: 275.9193 mgc: 7.47004 ustep: 0.1803406 
iter: 24  value: 275.9122 mgc: 0.1234704 ustep: 0.4247228 
iter: 25  value: 275.899 mgc: 1.50761 ustep: 0.6517424 
iter: 26  value: 275.8947 mgc: 4.727723 ustep: 0.3373926 
iter: 27  value: 275.8861 mgc: 0.3039615 ustep: 0.580897 
iter: 28  value: 275.8803 mgc: 2.390916 ustep: 0.5122909 
iter: 29  value: 275.87 mgc: 0.7064011 ustep: 0.7157734 
iter: 30  value: 275.8668 mgc: 3.620377 ustep: 0.3735233 
iter: 31  value: 275.8611 mgc: 0.1344853 ustep: 0.6112044 
iter: 32  value: 275.8518 mgc: 1.112311 ustep: 0.7818175 
iter: 33  value: 275.8398 mgc: 2.326357 ustep: 0.884216 
iter: 34  value: 275.8373 mgc: 3.333092 ustep: 0.5056391 
iter: 35  value: 275.8334 mgc: 0.2309305 ustep: 0.7111119 
iter: 36  value: 275.8275 mgc: 0.919079 ustep: 0.8432902 
iter: 37  value: 275.8202 mgc: 1.796073 ustep: 0.9183165 
iter: 38  value: 275.8191 mgc: 2.139454 ustep: 0.5479455 
iter: 39  value: 275.8174 mgc: 0.0770709 ustep: 0.7402594 
iter: 40  value: 275.8146 mgc: 0.384916 ustep: 0.8603972 
iter: 41  value: 275.811 mgc: 0.8406609 ustep: 0.9275832 
iter: 42  value: 275.8078 mgc: 1.16467 ustep: 0.9631149 
iter: 43  value: 275.8058 mgc: 1.302901 ustep: 0.981386 
iter: 44  value: 275.8051 mgc: 1.163707 ustep: 0.9906502 
iter: 45  value: 275.8048 mgc: 0.7999975 ustep: 0.9953146 
iter: 46  value: 275.8048 mgc: 0.4064016 ustep: 0.9976548 
iter: 47  value: 275.8048 mgc: 0.1234037 ustep: 0.9988268 
iter: 48  value: 275.8048 mgc: 0.0112664 ustep: 0.9994133 
iter: 49  value: 275.8048 mgc: 0.000206533 ustep: 0.9997066 
iter: 50  value: 275.8048 mgc: 9.765695e-08 ustep: 0.9998533 
iter: 51  mgc: 8.417977e-11 
iter: 1  mgc: 8.417977e-11 
outer mgc:  55.49116 
  9:     1352.2808: -5.50646 -5.59579 -5.55917 -5.50046 -5.35037 -5.53691 -6.35172 -5.63969 -5.57716 -5.48342 -5.40222 -5.32149 -5.21006 -5.15096 -5.08357 -4.98090  1.89708  1.73777 0.428858 -0.652734 -0.409343 -0.158056 -0.00723392 0.0545519 0.0900988 0.131239 0.169684 0.209744 0.314101 0.949739  1.26704 -2.09930 -1.13358
iter: 1  value: 297.4055 mgc: 4.677481 ustep: 0.2494656 
iter: 2  value: 291.5568 mgc: 316.8936 ustep: 0.0107502 
iter: 3  value: 289.9808 mgc: 2.119182 ustep: 0.1037728 
iter: 4  value: 289.0035 mgc: 36.22561 ustep: 0.09263174 
iter: 5  value: 287.9104 mgc: 7.216648 ustep: 0.1659715 
iter: 6  value: 287.3392 mgc: 32.62675 ustep: 0.1226097 
iter: 7  value: 286.8081 mgc: 4.878217 ustep: 0.3502216 
iter: 8  value: 286.359 mgc: 106.8246 ustep: 0.05444231 
iter: 9  value: 286.1232 mgc: 2.417439 ustep: 0.2334054 
iter: 10  value: 286.0226 mgc: 13.54805 ustep: 0.1520842 
iter: 11  value: 285.8662 mgc: 2.384729 ustep: 0.3900407 
iter: 12  value: 285.8338 mgc: 26.082 ustep: 0.05936728 
iter: 13  value: 285.7802 mgc: 0.3401267 ustep: 0.2437297 
iter: 14  value: 285.7343 mgc: 7.913975 ustep: 0.288452 
iter: 15  value: 285.7035 mgc: 2.640229 ustep: 0.5371236 
iter: 16  value: 285.65 mgc: 45.77678 ustep: 0.04039355 
iter: 17  value: 285.6338 mgc: 0.1871627 ustep: 0.2010614 
iter: 18  value: 285.6007 mgc: 3.915754 ustep: 0.4484538 
iter: 19  value: 285.5887 mgc: 16.16958 ustep: 0.129267 
iter: 20  value: 285.5664 mgc: 0.7545556 ustep: 0.3596013 
iter: 21  value: 285.5578 mgc: 13.84975 ustep: 0.1081038 
iter: 22  value: 285.5393 mgc: 0.4995543 ustep: 0.3288586 
iter: 23  value: 285.5293 mgc: 9.862812 ustep: 0.1918342 
iter: 24  value: 285.509 mgc: 1.242387 ustep: 0.4380451 
iter: 25  value: 285.4985 mgc: 18.11948 ustep: 0.1267187 
iter: 26  value: 285.483 mgc: 0.4400147 ustep: 0.3560401 
iter: 27  value: 285.4741 mgc: 10.74184 ustep: 0.2030663 
iter: 28  value: 285.4582 mgc: 0.9678614 ustep: 0.4506837 
iter: 29  value: 285.4488 mgc: 17.63688 ustep: 0.1298159 
iter: 30  value: 285.4363 mgc: 0.3556177 ustep: 0.3603637 
iter: 31  value: 285.4293 mgc: 9.541551 ustep: 0.2048562 
iter: 32  value: 285.4162 mgc: 0.8489297 ustep: 0.4526652 
iter: 33  value: 285.4091 mgc: 15.18047 ustep: 0.1303045 
iter: 34  value: 285.399 mgc: 0.3167417 ustep: 0.3610411 
iter: 35  value: 285.3935 mgc: 8.06599 ustep: 0.2051367 
iter: 36  value: 285.3826 mgc: 0.7598135 ustep: 0.4529749 
iter: 37  value: 285.3773 mgc: 12.73497 ustep: 0.130381 
iter: 38  value: 285.3691 mgc: 0.2814555 ustep: 0.361147 
iter: 39  value: 285.3648 mgc: 6.727231 ustep: 0.2051806 
iter: 40  value: 285.3557 mgc: 0.6749293 ustep: 0.4530233 
iter: 41  value: 285.3517 mgc: 10.59703 ustep: 0.130393 
iter: 42  value: 285.345 mgc: 0.2487437 ustep: 0.3611635 
iter: 43  value: 285.3416 mgc: 5.552703 ustep: 0.2051874 
iter: 44  value: 285.3339 mgc: 0.5972426 ustep: 0.4530309 
iter: 45  value: 285.3295 mgc: 8.745179 ustep: 0.2438095 
iter: 46  value: 285.3252 mgc: 0.9075777 ustep: 0.2885088 
iter: 47  value: 285.3209 mgc: 3.689858 ustep: 0.3196567 
iter: 48  value: 285.313 mgc: 1.350208 ustep: 0.5654253 
iter: 49  value: 285.3094 mgc: 10.52889 ustep: 0.1598811 
iter: 50  value: 285.3046 mgc: 0.2311868 ustep: 0.3999114 
iter: 51  value: 285.3021 mgc: 5.281792 ustep: 0.2213115 
iter: 52  value: 285.2968 mgc: 0.4392388 ustep: 0.4704905 
iter: 53  value: 285.294 mgc: 6.670273 ustep: 0.2513484 
iter: 54  value: 285.289 mgc: 0.337967 ustep: 0.5013965 
iter: 55  value: 285.2863 mgc: 7.620152 ustep: 0.2649207 
iter: 56  value: 285.2839 mgc: 3.291631 ustep: 0.3033729 
iter: 57  value: 285.2815 mgc: 7.522373 ustep: 0.181307 
iter: 58  value: 285.2779 mgc: 0.06471906 ustep: 0.425859 
iter: 59  value: 285.2747 mgc: 2.896378 ustep: 0.4105639 
iter: 60  value: 285.2692 mgc: 0.9313938 ustep: 0.6407885 
iter: 61  value: 285.2672 mgc: 7.458604 ustep: 0.182433 
iter: 62  value: 285.2645 mgc: 0.1328686 ustep: 0.4271791 
iter: 63  value: 285.2621 mgc: 2.67444 ustep: 0.4114217 
iter: 64  value: 285.2576 mgc: 0.7723814 ustep: 0.6414575 
iter: 65  value: 285.2562 mgc: 5.904365 ustep: 0.1826471 
iter: 66  value: 285.2541 mgc: 0.1076249 ustep: 0.4274296 
iter: 67  value: 285.2522 mgc: 1.892323 ustep: 0.4115845 
iter: 68  value: 285.2484 mgc: 0.6644803 ustep: 0.6415843 
iter: 69  value: 285.247 mgc: 4.17634 ustep: 0.3320305 
iter: 70  value: 285.2443 mgc: 0.1796169 ustep: 0.5762632 
iter: 71  value: 285.2433 mgc: 3.37671 ustep: 0.2993834 
iter: 72  value: 285.241 mgc: 0.1454144 ustep: 0.5472047 
iter: 73  value: 285.2393 mgc: 2.133842 ustep: 0.4898127 
iter: 74  value: 285.2361 mgc: 0.337487 ustep: 0.6998962 
iter: 75  value: 285.235 mgc: 3.984622 ustep: 0.3641417 
iter: 76  value: 285.2329 mgc: 0.03834528 ustep: 0.6034812 
iter: 77  value: 285.2315 mgc: 2.099016 ustep: 0.5275733 
iter: 78  value: 285.2288 mgc: 0.1854416 ustep: 0.7263698 
iter: 79  value: 285.2279 mgc: 3.188234 ustep: 0.3799663 
iter: 80  value: 285.2263 mgc: 0.06264297 ustep: 0.6164524 
iter: 81  value: 285.2253 mgc: 1.164193 ustep: 0.5364448 
iter: 82  value: 285.2231 mgc: 0.2270996 ustep: 0.7324507 
iter: 83  value: 285.2219 mgc: 1.615106 ustep: 0.6202641 
iter: 84  value: 285.2197 mgc: 0.03090438 ustep: 0.7875897 
iter: 85  value: 285.2191 mgc: 2.847465 ustep: 0.4207207 
iter: 86  value: 285.2181 mgc: 0.02262662 ustep: 0.648665 
iter: 87  value: 285.2163 mgc: 0.4920465 ustep: 0.8054169 
iter: 88  value: 285.2135 mgc: 0.6428348 ustep: 0.8974605 
iter: 89  value: 285.2126 mgc: 0.3017916 ustep: 0.7704652 
iter: 90  value: 285.2121 mgc: 1.468837 ustep: 0.6503262 
iter: 91  value: 285.2112 mgc: 0.08612553 ustep: 0.8064474 
iter: 92  value: 285.21 mgc: 0.7070313 ustep: 0.8980344 
iter: 93  value: 285.2098 mgc: 1.703007 ustep: 0.5215401 
iter: 94  value: 285.2095 mgc: 0.3098327 ustep: 0.7222051 
iter: 95  value: 285.2089 mgc: 0.0683563 ustep: 0.8498415 
iter: 96  value: 285.2082 mgc: 0.3613471 ustep: 0.9218763 
iter: 97  value: 285.2075 mgc: 0.2756689 ustep: 0.9601479 
iter: 98  value: 285.2072 mgc: 0.5598313 ustep: 0.9798734 
iter: 99  value: 285.2071 mgc: 1.370125 ustep: 0.6826691 
iter: 100  value: 285.2071 mgc: 0.8191024 ustep: 0.5831147 
iter: 101  value: 285.2071 mgc: 0.09451201 ustep: 0.7636431 
iter: 102  value: 285.2071 mgc: 0.04643361 ustep: 0.8738794 
iter: 103  value: 285.207 mgc: 0.02459449 ustep: 0.9348217 
iter: 104  value: 285.207 mgc: 0.02256497 ustep: 0.9668651 
iter: 105  value: 285.207 mgc: 0.03801322 ustep: 0.9832946 
iter: 106  value: 285.207 mgc: 0.03004802 ustep: 0.991613 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.01202621 
iter: 1  value: 285.207 mgc: 0.01202621 ustep: 1 
iter: 2  value: 285.207 mgc: 0.002379219 ustep: 1 
iter: 3  value: 285.207 mgc: 2.071378e-06 ustep: 1 
iter: 4  mgc: 7.479173e-11 
outer mgc:  96.86754 
 10:     1350.8215: -5.56124 -5.65506 -5.61244 -5.54864 -5.38725 -5.56930 -6.49162 -5.69781 -5.62674 -5.52595 -5.43922 -5.35363 -5.23400 -5.17005 -5.09637 -4.98584  1.91821  1.78263 0.446646 -0.620912 -0.347840 -0.0706833 0.0748698 0.145910 0.180142 0.218989 0.249651 0.281666 0.302176 0.908326  1.25723 -2.10509 -1.15441
iter: 1  value: 255.1664 mgc: 2.824979 ustep: 0.1336527 
iter: 2  value: 254.159 mgc: 181.6559 ustep: 0.00708213 
iter: 3  value: 253.1398 mgc: 2.015939 ustep: 0.08424698 
iter: 4  value: 252.7149 mgc: 41.97683 ustep: 0.04194957 
iter: 5  value: 251.761 mgc: 2.940972 ustep: 0.2048955 
iter: 6  value: 251.4468 mgc: 91.21979 ustep: 0.01865056 
iter: 7  value: 251.069 mgc: 0.9587566 ustep: 0.1366534 
iter: 8  value: 250.9323 mgc: 32.75778 ustep: 0.05605016 
iter: 9  value: 250.6513 mgc: 1.35558 ustep: 0.2368255 
iter: 10  value: 250.5672 mgc: 45.55052 ustep: 0.0408067 
iter: 11  value: 250.4443 mgc: 0.5618461 ustep: 0.2020865 
iter: 12  value: 250.4043 mgc: 21.81372 ustep: 0.07189759 
iter: 13  value: 250.3294 mgc: 0.6585465 ustep: 0.2682105 
iter: 14  value: 250.3031 mgc: 22.14675 ustep: 0.08714654 
iter: 15  value: 250.2651 mgc: 0.2710358 ustep: 0.2952764 
iter: 16  value: 250.2489 mgc: 19.61811 ustep: 0.09332482 
iter: 17  value: 250.2265 mgc: 0.2555525 ustep: 0.3055606 
iter: 18  value: 250.2174 mgc: 14.22357 ustep: 0.09567382 
iter: 19  value: 250.2019 mgc: 0.290157 ustep: 0.3093809 
iter: 20  value: 250.1931 mgc: 10.43364 ustep: 0.1837904 
iter: 21  value: 250.1887 mgc: 0.6369065 ustep: 0.428765 
iter: 22  value: 250.1699 mgc: 28.57607 ustep: 0.06429321 
iter: 23  value: 250.1625 mgc: 0.09590087 ustep: 0.2536357 
iter: 24  value: 250.1549 mgc: 3.400364 ustep: 0.2954651 
iter: 25  value: 250.1418 mgc: 2.455342 ustep: 0.5436127 
iter: 26  value: 250.1367 mgc: 11.72223 ustep: 0.1538376 
iter: 27  value: 250.129 mgc: 0.3544034 ustep: 0.3922821 
iter: 28  value: 250.1248 mgc: 7.773309 ustep: 0.2181224 
iter: 29  value: 250.1169 mgc: 0.5682971 ustep: 0.467089 
iter: 30  value: 250.1138 mgc: 9.138841 ustep: 0.1338879 
iter: 31  value: 250.1085 mgc: 0.1464297 ustep: 0.3659703 
iter: 32  value: 250.1038 mgc: 3.71671 ustep: 0.3714681 
iter: 33  value: 250.096 mgc: 1.626427 ustep: 0.6095209 
iter: 34  value: 250.0928 mgc: 9.771259 ustep: 0.1727223 
iter: 35  value: 250.0887 mgc: 0.1715967 ustep: 0.4156572 
iter: 36  value: 250.0852 mgc: 3.314748 ustep: 0.4039314 
iter: 37  value: 250.0792 mgc: 1.264623 ustep: 0.6355924 
iter: 38  value: 250.0772 mgc: 7.345594 ustep: 0.1807797 
iter: 39  value: 250.0743 mgc: 0.1131414 ustep: 0.4252394 
iter: 40  value: 250.0693 mgc: 1.877624 ustep: 0.6521386 
iter: 41  value: 250.0677 mgc: 3.372932 ustep: 0.3376036 
iter: 42  value: 250.0643 mgc: 0.4025138 ustep: 0.5810785 
iter: 43  value: 250.062 mgc: 3.029329 ustep: 0.512413 
iter: 44  value: 250.0581 mgc: 0.7449957 ustep: 0.7158587 
iter: 45  value: 250.0567 mgc: 4.48154 ustep: 0.3735745 
iter: 46  value: 250.0545 mgc: 0.1419741 ustep: 0.6112463 
iter: 47  value: 250.053 mgc: 1.733749 ustep: 0.5328753 
iter: 48  value: 250.0502 mgc: 0.461285 ustep: 0.7300101 
iter: 49  value: 250.0494 mgc: 2.267086 ustep: 0.6183898 
iter: 50  value: 250.0479 mgc: 4.592459 ustep: 0.5377763 
iter: 51  value: 250.047 mgc: 3.875938 ustep: 0.2813473 
iter: 52  value: 250.0461 mgc: 0.2624982 ustep: 0.5304688 
iter: 53  value: 250.0444 mgc: 0.03962433 ustep: 0.72836 
iter: 54  value: 250.0418 mgc: 0.4849691 ustep: 0.8534548 
iter: 55  value: 250.0408 mgc: 1.306811 ustep: 0.7239453 
iter: 56  value: 250.0391 mgc: 0.1505372 ustep: 0.8508647 
iter: 57  value: 250.0384 mgc: 1.018137 ustep: 0.7214158 
iter: 58  value: 250.0373 mgc: 0.09417602 ustep: 0.849377 
iter: 59  value: 250.0359 mgc: 0.5500136 ustep: 0.9216244 
iter: 60  value: 250.0346 mgc: 0.3583348 ustep: 0.9600167 
iter: 61  value: 250.0345 mgc: 1.098946 ustep: 0.622857 
iter: 62  value: 250.0344 mgc: 0.01485044 ustep: 0.789234 
iter: 63  value: 250.0341 mgc: 0.06476372 ustep: 0.8883996 
iter: 64  value: 250.0339 mgc: 0.1274963 ustep: 0.9425553 
iter: 65  value: 250.0337 mgc: 0.1905021 ustep: 0.9708558 
iter: 66  value: 250.0336 mgc: 0.1935207 ustep: 0.9853216 
iter: 67  value: 250.0336 mgc: 0.1441445 ustep: 0.9926344 
iter: 68  value: 250.0336 mgc: 0.06154524 ustep: 0.9963108 
iter: 69  value: 250.0336 mgc: 0.01157601 ustep: 0.9981539 
iter: 70  value: 250.0336 mgc: 0.0005146661 ustep: 0.9990766 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 3.218381e-06 
iter: 1  value: 250.0336 mgc: 3.218381e-06 ustep: 1 
iter: 2  mgc: 4.496087e-09 
outer mgc:  32.22559 
 11:     1331.2016: -5.56906 -5.66345 -5.61992 -5.55532 -5.39228 -5.57505 -6.51162 -5.70605 -5.63374 -5.53179 -5.44418 -5.35783 -5.23700 -5.17239 -5.09786 -4.98895  1.92630  1.71372 0.450240 -0.670191 -0.392291 -0.123806 0.0213028 0.0973256 0.134529 0.175229 0.206182 0.238222 0.296382 0.920726  1.25367 -2.09784 -1.15762
iter: 1  value: 219.7891 mgc: 1.8844 ustep: 0.8994163 
iter: 2  value: 219.2607 mgc: 145.3388 ustep: 0.01149918 
iter: 3  value: 219.2601 mgc: 0.2312679 ustep: 0.1073235 
iter: 4  value: 219.2592 mgc: 0.03420363 ustep: 0.3276699 
iter: 5  value: 219.2581 mgc: 0.1967672 ustep: 0.5724673 
iter: 6  value: 219.257 mgc: 0.586422 ustep: 0.7566401 
iter: 7  value: 219.2559 mgc: 1.114366 ustep: 0.8698636 
iter: 8  value: 219.2549 mgc: 1.123686 ustep: 0.9326715 
iter: 9  value: 219.2546 mgc: 0.7248207 ustep: 0.8148581 
iter: 10  value: 219.2545 mgc: 0.8646934 ustep: 0.9027046 
iter: 11  value: 219.2541 mgc: 3.136209 ustep: 0.3124085 
iter: 12  value: 219.2541 mgc: 0.002933603 ustep: 0.5589793 
iter: 13  value: 219.254 mgc: 0.002188766 ustep: 0.7476744 
iter: 14  value: 219.2539 mgc: 0.006228564 ustep: 0.8646952 
iter: 15  value: 219.2538 mgc: 0.03234014 ustep: 0.9298969 
iter: 16  value: 219.2537 mgc: 0.08610198 ustep: 0.9643152 
iter: 17  value: 219.2536 mgc: 0.1146184 ustep: 0.9819973 
iter: 18  value: 219.2536 mgc: 0.08972054 ustep: 0.9909587 
iter: 19  value: 219.2536 mgc: 0.03972951 ustep: 0.9954695 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.00711435 
iter: 1  value: 219.2536 mgc: 0.00711435 ustep: 1 
iter: 2  value: 219.2536 mgc: 0.0003598319 ustep: 1 
iter: 3  value: 219.2536 mgc: 5.225522e-08 ustep: 1 
mgc: 8.337331e-11 
outer mgc:  49.21433 
 12:     1324.4442: -5.60301 -5.69996 -5.65257 -5.58474 -5.41472 -5.59676 -6.59812 -5.74190 -5.66441 -5.55783 -5.46669 -5.37721 -5.25129 -5.18381 -5.10550 -4.99316  1.95510  1.64823 0.463599 -0.678659 -0.375277 -0.129318 0.0207557 0.108444 0.149988 0.193255 0.223919 0.254723 0.287871 0.892402  1.24770 -2.13165 -1.16941
iter: 1  value: 218.8338 mgc: 1.190765 ustep: 0.6827823 
iter: 2  value: 217.8847 mgc: 189.8942 ustep: 0.006808644 
iter: 3  value: 217.8749 mgc: 0.5832761 ustep: 0.08260626 
iter: 4  value: 217.8552 mgc: 0.1624928 ustep: 0.2874843 
iter: 5  value: 217.8394 mgc: 1.553688 ustep: 0.536222 
iter: 6  value: 217.8342 mgc: 2.927823 ustep: 0.482553 
iter: 7  value: 217.8293 mgc: 0.9836742 ustep: 0.6946909 
iter: 8  value: 217.8279 mgc: 3.778316 ustep: 0.3611322 
iter: 9  value: 217.8259 mgc: 0.1892836 ustep: 0.6009827 
iter: 10  value: 217.823 mgc: 1.42359 ustep: 0.7752532 
iter: 11  value: 217.82 mgc: 0.6275213 ustep: 0.8804966 
iter: 12  value: 217.8189 mgc: 4.386426 ustep: 0.2939898 
iter: 13  value: 217.8183 mgc: 0.1193127 ustep: 0.5422541 
iter: 14  value: 217.8173 mgc: 0.2220799 ustep: 0.7364054 
iter: 15  value: 217.8159 mgc: 0.6405989 ustep: 0.8581548 
iter: 16  value: 217.8153 mgc: 0.9971989 ustep: 0.7285857 
iter: 17  value: 217.8144 mgc: 0.1931984 ustep: 0.853587 
iter: 18  value: 217.8133 mgc: 0.6610725 ustep: 0.9239053 
iter: 19  value: 217.8123 mgc: 0.4068691 ustep: 0.9612038 
iter: 20  value: 217.8122 mgc: 0.9602115 ustep: 0.625714 
iter: 21  value: 217.8121 mgc: 0.007437734 ustep: 0.7910417 
iter: 22  value: 217.8119 mgc: 0.04768823 ustep: 0.8894163 
iter: 23  value: 217.8117 mgc: 0.09247955 ustep: 0.9430944 
iter: 24  value: 217.8115 mgc: 0.1358676 ustep: 0.9711334 
iter: 25  value: 217.8114 mgc: 0.1357458 ustep: 0.9854624 
iter: 26  value: 217.8114 mgc: 0.09144911 ustep: 0.9927053 
iter: 27  value: 217.8114 mgc: 0.03346473 ustep: 0.9963464 
iter: 28  value: 217.8114 mgc: 0.004659337 ustep: 0.9981717 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.0001468808 
iter: 1  value: 217.8114 mgc: 0.0001468808 ustep: 1 
iter: 2  value: 217.8114 mgc: 9.110262e-07 ustep: 1 
iter: 3  mgc: 9.931256e-11 
outer mgc:  37.27605 
 13:     1316.1863: -5.63953 -5.73855 -5.68682 -5.61566 -5.43858 -5.61834 -6.69069 -5.77923 -5.69583 -5.58454 -5.48999 -5.39746 -5.26639 -5.19602 -5.11388 -4.99973  1.97076  1.70305 0.475209 -0.708236 -0.396326 -0.159491 0.00113227 0.0952446 0.139542 0.185623 0.218663 0.251775 0.288190 0.891185  1.24675 -2.15678 -1.18065
iter: 1  value: 176.0728 mgc: 1.838997 ustep: 0.6827823 
iter: 2  value: 174.6907 mgc: 188.1387 ustep: 0.006808644 
iter: 3  value: 174.6757 mgc: 0.6083798 ustep: 0.08260626 
iter: 4  value: 174.6486 mgc: 0.2942368 ustep: 0.2874843 
iter: 5  value: 174.6305 mgc: 2.122534 ustep: 0.536222 
iter: 6  value: 174.6247 mgc: 3.742619 ustep: 0.482553 
iter: 7  value: 174.6187 mgc: 1.500571 ustep: 0.6946909 
iter: 8  value: 174.6169 mgc: 5.332353 ustep: 0.3611322 
iter: 9  value: 174.614 mgc: 0.3300763 ustep: 0.6009827 
iter: 10  value: 174.6122 mgc: 2.473097 ustep: 0.5258727 
iter: 11  value: 174.6092 mgc: 0.6768029 ustep: 0.7251983 
iter: 12  value: 174.6083 mgc: 3.176049 ustep: 0.3792464 
iter: 13  value: 174.6068 mgc: 0.1571689 ustep: 0.6158683 
iter: 14  value: 174.6045 mgc: 1.090604 ustep: 0.7847943 
iter: 15  value: 174.6034 mgc: 1.725765 ustep: 0.6621433 
iter: 16  value: 174.6016 mgc: 0.4955063 ustep: 0.8137405 
iter: 17  value: 174.6008 mgc: 1.794169 ustep: 0.6870183 
iter: 18  value: 174.5995 mgc: 0.1644839 ustep: 0.8288828 
iter: 19  value: 174.5989 mgc: 1.378309 ustep: 0.7006624 
iter: 20  value: 174.5981 mgc: 0.1326828 ustep: 0.8370721 
iter: 21  value: 174.597 mgc: 0.7516168 ustep: 0.9149249 
iter: 22  value: 174.5961 mgc: 0.3174587 ustep: 0.9565214 
iter: 23  value: 174.5959 mgc: 1.337627 ustep: 0.6147928 
iter: 24  value: 174.5958 mgc: 0.01706247 ustep: 0.7841089 
iter: 25  value: 174.5956 mgc: 0.09421911 ustep: 0.8855107 
iter: 26  value: 174.5955 mgc: 0.1576326 ustep: 0.9410217 
iter: 27  value: 174.5953 mgc: 0.2103575 ustep: 0.9700657 
iter: 28  value: 174.5953 mgc: 0.1993975 ustep: 0.9849206 
iter: 29  value: 174.5953 mgc: 0.13965 ustep: 0.9924324 
iter: 30  value: 174.5953 mgc: 0.05629213 ustep: 0.9962094 
iter: 31  value: 174.5953 mgc: 0.009706957 ustep: 0.9981031 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 0.0003578084 
iter: 1  value: 136.8726 mgc: 2.422882 ustep: 1 
iter: 2  value: 136.8223 mgc: 18.95852 ustep: 0.4367355 
iter: 3  value: 136.8223 mgc: 0.005776515 ustep: 0.6608936 
iter: 4  value: 136.8223 mgc: 0.002041244 ustep: 0.8129723 
iter: 5  value: 136.8223 mgc: 0.000247711 ustep: 0.9016596 
iter: 6  value: 136.8223 mgc: 4.870369e-05 ustep: 0.9495626 
iter: 7  value: 136.8223 mgc: 3.11905e-05 ustep: 0.9744576 
iter: 8  value: 136.8223 mgc: 1.149706e-05 ustep: 0.9871475 
iter: 9  value: 136.8223 mgc: 3.083242e-06 ustep: 0.9935536 
iter: 10  value: 136.8223 mgc: 4.236275e-07 ustep: 0.9967719 
iter: 11  value: 136.8223 mgc: 2.496371e-08 ustep: 0.9983848 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 1.506677e-09 
iter: 1  value: 2.794948 mgc: 18.29465 ustep: 1 
iter: 2  value: -35.02617 mgc: 494.6772 ustep: 0.01776843 
iter: 3  value: -35.063 mgc: 11.20343 ustep: 0.133385 
iter: 4  value: -35.08721 mgc: 0.46874 ustep: 0.3652825 
iter: 5  value: -35.09747 mgc: 0.5427641 ustep: 0.6044256 
iter: 6  value: -35.09957 mgc: 0.5340696 ustep: 0.7774704 
iter: 7  value: -35.09995 mgc: 0.4445728 ustep: 0.8817547 
iter: 8  value: -35.10009 mgc: 0.2533059 ustep: 0.939024 
iter: 9  value: -35.10013 mgc: 0.08813954 ustep: 0.9690356 
iter: 10  value: -35.10014 mgc: 0.03231567 ustep: 0.9843976 
iter: 11  value: -35.10014 mgc: 0.006422391 ustep: 0.9921689 
iter: 12  value: -35.10014 mgc: 0.0005874465 ustep: 0.9960772 
iter: 13  value: -35.10014 mgc: 2.145495e-05 ustep: 0.9980368 
iter: 14  value: -35.10014 mgc: 2.413561e-07 ustep: 0.999018 
iter: 15  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 1.717993e-09 
iter: 1  value: 1163.11 mgc: 268.2845 ustep: 1 
iter: 2  value: -251.0623 mgc: 3102.946 ustep: 0.002237842 
iter: 3  value: -264.2676 mgc: 90.43858 ustep: 0.0474011 
iter: 4  value: -265.8939 mgc: 2.411799 ustep: 0.2177962 
iter: 5  value: -267.2117 mgc: 4.711179 ustep: 0.4667397 
iter: 6  value: -267.6673 mgc: 9.4356 ustep: 0.6832152 
iter: 7  value: -267.7599 mgc: 5.139139 ustep: 0.8265857 
iter: 8  value: -267.7791 mgc: 1.651331 ustep: 0.9091766 
iter: 9  value: -267.7851 mgc: 1.035656 ustep: 0.9535122 
iter: 10  value: -267.7861 mgc: 0.5263911 ustep: 0.9764818 
iter: 11  value: -267.7862 mgc: 0.2321789 ustep: 0.9881721 
iter: 12  value: -267.7862 mgc: 0.03910898 ustep: 0.9940691 
iter: 13  value: -267.7862 mgc: 0.001901727 ustep: 0.9970304 
iter: 14  value: -267.7862 mgc: 1.049127e-05 ustep: 0.9985143 
iter: 15  value: -267.7862 mgc: 1.337141e-08 ustep: 0.9992569 
iter: 16  mgc: 1.616074e-10 
iter: 1  mgc: 1.616074e-10 
outer mgc:  430.9797 
 14:     1172.5577: -7.68123 -7.85718 -7.55454 -7.30783 -6.76521 -6.70926 -11.8277 -7.79537 -7.37107 -7.01966 -6.75604 -6.51356 -6.11583 -5.89294 -5.60460 -5.37881  2.51873  1.27328  1.08959 -1.23850 -1.14080 -0.452481 0.258959 0.301273 0.327506 0.423441 0.592075 0.801734 0.663671 0.125661  1.38394 -3.08126 -1.83529
iter: 1  value: 1660.886 mgc: 1643.548 ustep: 1 
iter: 2  value: 439.3459 mgc: 4167.641 ustep: 0.001119436 
iter: 3  value: 431.7251 mgc: 128.6658 ustep: 0.03355462 
iter: 4  value: 430.1477 mgc: 1.120364 ustep: 0.1832609 
iter: 5  value: 428.9729 mgc: 3.143603 ustep: 0.428147 
iter: 6  value: 428.6573 mgc: 4.644043 ustep: 0.654364 
iter: 7  value: 428.6044 mgc: 1.634554 ustep: 0.8089468 
iter: 8  value: 428.5908 mgc: 0.7319943 ustep: 0.8994248 
iter: 9  value: 428.588 mgc: 0.2031223 ustep: 0.9483852 
iter: 10  value: 428.5877 mgc: 0.02802273 ustep: 0.9738533 
iter: 11  value: 428.5877 mgc: 0.001910983 ustep: 0.9868414 
iter: 12  value: 428.5877 mgc: 6.081622e-05 ustep: 0.9933996 
iter: 13  value: 428.5877 mgc: 1.686444e-06 ustep: 0.9966947 
iter: 14  value: 428.5877 mgc: 4.350164e-08 ustep: 0.9983461 
iter: 15  mgc: 5.710158e-10 
iter: 1  value: 1064.243 mgc: 145.0979 ustep: 0.1336527 
iter: 2  value: -294.4656 mgc: 1476.28 ustep: 0.003547002 
iter: 3  value: -386.0821 mgc: 1152.801 ustep: 0.001919187 
iter: 4  value: -400.8061 mgc: 171.6656 ustep: 0.04390415 
iter: 5  value: -410.2609 mgc: 35.33164 ustep: 0.2096122 
iter: 6  value: -412.1408 mgc: 54.55867 ustep: 0.0736566 
iter: 7  value: -415.0797 mgc: 3.263925 ustep: 0.2714704 
iter: 8  value: -415.9914 mgc: 48.32274 ustep: 0.1680733 
iter: 9  value: -417.0014 mgc: 3.478081 ustep: 0.4100264 
iter: 10  value: -417.4999 mgc: 47.12555 ustep: 0.4002676 
iter: 11  value: -417.9777 mgc: 6.697936 ustep: 0.6327038 
iter: 12  value: -418.5249 mgc: 55.37905 ustep: 0.7954472 
iter: 13  value: -418.713 mgc: 10.62967 ustep: 0.671131 
iter: 14  value: -418.9344 mgc: 29.44756 ustep: 0.8192439 
iter: 15  value: -419.0861 mgc: 3.58472 ustep: 0.9051304 
iter: 16  value: -419.1656 mgc: 23.42016 ustep: 0.9513883 
iter: 17  value: -419.1816 mgc: 1.385985 ustep: 0.9753938 
iter: 18  value: -419.1846 mgc: 6.99574 ustep: 0.9876215 
iter: 19  value: -419.1848 mgc: 0.179256 ustep: 0.9937921 
iter: 20  value: -419.1848 mgc: 0.2927867 ustep: 0.9968915 
iter: 21  value: -419.1848 mgc: 0.001593645 ustep: 0.9984447 
iter: 22  value: -419.1848 mgc: 1.102854e-05 ustep: 0.9992221 
iter: 23  mgc: 3.323346e-09 
iter: 1  mgc: 3.323346e-09 
outer mgc:  296.3971 
 15:     1063.2685: -8.13661 -8.29802 -7.93212 -7.65038 -7.04803 -6.94427 -12.9444 -8.18822 -7.68582 -7.29216 -7.00321 -6.74308 -6.30525 -6.06072 -5.73502 -5.55724  2.66993  1.26962  1.22814 -1.50530 -1.39744 -0.592643 0.142226 0.227345 0.278419 0.383752 0.558917 0.783363 0.0529869 0.164265  1.05810 -3.25177 -1.59730
iter: 1  value: 16967.34 mgc: 711.4344 ustep: 0.0692153 
iter: 2  value: 2405.768 mgc: 9291.902 ustep: 0.0005957351 
iter: 3  value: 1135.173 mgc: 734.1782 ustep: 0.02450524 
iter: 4  value: 1048.533 mgc: 420.1857 ustep: 0.005306434 
iter: 5  value: 883.8023 mgc: 199.2422 ustep: 0.07293799 
iter: 6  value: 791.1822 mgc: 1045.716 ustep: 0.002455431 
iter: 7  value: 741.6811 mgc: 511.2429 ustep: 0.04964735 
iter: 8  value: 724.6499 mgc: 524.6257 ustep: 0.003930144 
iter: 9  value: 685.0377 mgc: 9.737777 ustep: 0.06278459 
iter: 10  value: 670.3538 mgc: 315.9739 ustep: 0.01786481 
iter: 11  value: 644.5091 mgc: 85.21736 ustep: 0.06926536 
iter: 12  value: 638.7693 mgc: 361.9257 ustep: 0.004759386 
iter: 13  value: 619.0444 mgc: 7.31911 ustep: 0.06908141 
iter: 14  value: 585.3978 mgc: 81.2143 ustep: 0.2629071 
iter: 15  value: 572.8375 mgc: 138.4075 ustep: 0.08593475 
iter: 16  value: 558.6807 mgc: 21.27565 ustep: 0.293217 
iter: 17  value: 550.727 mgc: 255.0641 ustep: 0.04755348 
iter: 18  value: 548.9588 mgc: 54.37782 ustep: 0.2181458 
iter: 19  value: 542.4332 mgc: 512.3401 ustep: 0.004901902 
iter: 20  value: 540.9122 mgc: 1.548095 ustep: 0.07010658 
iter: 21  value: 536.5422 mgc: 3.089698 ustep: 0.26485 
iter: 22  value: 531.5815 mgc: 24.64304 ustep: 0.5146843 
iter: 23  value: 530.5404 mgc: 41.96211 ustep: 0.1460877 
iter: 24  value: 528.8988 mgc: 6.129233 ustep: 0.382276 
iter: 25  value: 527.7512 mgc: 40.50076 ustep: 0.3821616 
iter: 26  value: 526.8968 mgc: 40.74702 ustep: 0.3820867 
iter: 27  value: 526.3892 mgc: 110.8453 ustep: 0.1133505 
iter: 28  value: 525.7697 mgc: 1.892897 ustep: 0.336742 
iter: 29  value: 524.5437 mgc: 6.652467 ustep: 0.5803368 
iter: 30  value: 522.9632 mgc: 35.79594 ustep: 0.7618222 
iter: 31  value: 521.3676 mgc: 64.26298 ustep: 0.872837 
iter: 32  value: 520.8462 mgc: 46.22226 ustep: 0.934264 
iter: 33  value: 519.7394 mgc: 162.0234 ustep: 0.3459563 
iter: 34  value: 519.2658 mgc: 68.77379 ustep: 0.1988962 
iter: 35  value: 518.8903 mgc: 26.46032 ustep: 0.4460332 
iter: 36  value: 518.4486 mgc: 31.13499 ustep: 0.6678904 
iter: 37  value: 518.0537 mgc: 85.2849 ustep: 0.5724663 
iter: 38  value: 517.7128 mgc: 3.340227 ustep: 0.2975696 
iter: 39  value: 517.3 mgc: 50.35028 ustep: 0.5455449 
iter: 40  value: 516.8883 mgc: 36.85416 ustep: 0.7386362 
iter: 41  value: 516.5897 mgc: 110.7358 ustep: 0.2174332 
iter: 42  value: 516.3797 mgc: 23.31075 ustep: 0.26946 
iter: 43  value: 515.9699 mgc: 122.421 ustep: 0.08743195 
iter: 44  value: 515.7548 mgc: 12.63135 ustep: 0.2957594 
iter: 45  value: 515.4364 mgc: 96.36434 ustep: 0.178157 
iter: 46  value: 515.3381 mgc: 3.079803 ustep: 0.4221443 
iter: 47  value: 514.9468 mgc: 128.2074 ustep: 0.1228667 
iter: 48  value: 514.728 mgc: 14.33948 ustep: 0.3505884 
iter: 49  value: 514.6039 mgc: 71.60022 ustep: 0.5921459 
iter: 50  value: 514.3075 mgc: 55.57028 ustep: 0.1675538 
iter: 51  value: 514.1355 mgc: 16.65468 ustep: 0.4093924 
iter: 52  value: 513.9518 mgc: 8.625334 ustep: 0.6398738 
iter: 53  value: 513.7107 mgc: 37.2329 ustep: 0.7999412 
iter: 54  value: 513.5239 mgc: 1.250559 ustep: 0.8944049 
iter: 55  value: 513.4298 mgc: 19.4676 ustep: 0.9457352 
iter: 56  value: 513.4097 mgc: 1.035676 ustep: 0.9724919 
iter: 57  value: 513.408 mgc: 2.703546 ustep: 0.9861514 
iter: 58  value: 513.4079 mgc: 0.0962868 ustep: 0.9930523 
iter: 59  value: 513.4079 mgc: 0.006538471 ustep: 0.9965204 
iter: 60  value: 513.4079 mgc: 2.455087e-05 ustep: 0.9982589 
iter: 61  value: 513.4079 mgc: 7.521829e-08 ustep: 0.9991291 
iter: 62  mgc: 8.422852e-10 
iter: 1  value: -482.7466 mgc: 102.599 ustep: 1 
iter: 2  value: -522.3892 mgc: 872.0324 ustep: 0.004471122 
iter: 3  value: -522.4103 mgc: 5.238418 ustep: 0.06695976 
iter: 4  value: -522.4222 mgc: 0.09199696 ustep: 0.25884 
iter: 5  value: -522.432 mgc: 0.09188747 ustep: 0.5088123 
iter: 6  value: -522.4347 mgc: 0.2411677 ustep: 0.7133395 
iter: 7  value: -522.435 mgc: 0.1106075 ustep: 0.8446098 
iter: 8  value: -522.4351 mgc: 0.04895861 ustep: 0.9190346 
iter: 9  value: -522.4351 mgc: 0.0195369 ustep: 0.9586671 
iter: 10  value: -522.4351 mgc: 0.00508538 ustep: 0.9791175 
iter: 11  value: -522.4351 mgc: 0.0007454607 ustep: 0.9895047 
iter: 12  value: -522.4351 mgc: 4.424155e-05 ustep: 0.9947391 
iter: 13  value: -522.4351 mgc: 8.811222e-07 ustep: 0.9973663 
iter: 14  value: -522.4351 mgc: 1.956776e-08 ustep: 0.9986824 
iter: 15  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 3.547079e-10 
iter: 1  mgc: 3.547079e-10 
outer mgc:  111.271 
 16:     971.95551: -8.14662 -8.29326 -7.92251 -7.64210 -7.04800 -6.92950 -12.9564 -8.17163 -7.66663 -7.27643 -6.99217 -6.73792 -6.30720 -6.06741 -5.74473 -5.57208  2.65436  1.21232  1.22901 -1.52176 -1.38434 -0.585188 0.127182 0.246302 0.310995 0.421718 0.591107 0.805568 0.277127 0.241064  1.26938 -3.25210 -1.49885
iter: 1  value: -419.5689 mgc: 308.8239 ustep: 1 
iter: 2  value: -566.8593 mgc: 632.5157 ustep: 0.03522464 
iter: 3  value: -566.9709 mgc: 4.565344 ustep: 0.1877635 
iter: 4  value: -567.01 mgc: 0.6689383 ustep: 0.4333735 
iter: 5  value: -567.0155 mgc: 0.2193505 ustep: 0.6583453 
iter: 6  value: -567.0163 mgc: 0.06157054 ustep: 0.8114037 
iter: 7  value: -567.0165 mgc: 0.02106986 ustep: 0.9007894 
iter: 8  value: -567.0166 mgc: 0.00306714 ustep: 0.9491043 
iter: 9  value: -567.0166 mgc: 0.001178364 ustep: 0.9742224 
iter: 10  value: -567.0166 mgc: 0.0002652929 ustep: 0.9870284 
iter: 11  value: -567.0166 mgc: 2.117385e-05 ustep: 0.9934937 
iter: 12  value: -567.0166 mgc: 5.396356e-07 ustep: 0.9967418 
iter: 13  value: -567.0166 mgc: 1.162538e-08 ustep: 0.9983698 
iter: 14  mgc: 2.297883e-10 
iter: 1  mgc: 2.297883e-10 
outer mgc:  360.5315 
 17:     960.02300: -8.17702 -8.28129 -7.89670 -7.62036 -7.05001 -6.90077 -12.9928 -8.12652 -7.61499 -7.23551 -6.96463 -6.72710 -6.31629 -6.08967 -5.77496 -5.62742  2.61376  1.07731  1.23141 -1.60409 -1.35609 -0.574074 0.0569464 0.264543 0.367044 0.493656 0.644636 0.825195 0.358903 0.464675  1.32613 -3.25300 -1.47312
iter: 1  value: -294.7178 mgc: 307.2645 ustep: 1 
iter: 2  value: -582.6801 mgc: 812.7307 ustep: 0.008923143 
iter: 3  value: -584.3185 mgc: 73.36445 ustep: 0.09455295 
iter: 4  value: -584.8081 mgc: 17.87217 ustep: 0.3075639 
iter: 5  value: -584.9375 mgc: 2.332018 ustep: 0.554629 
iter: 6  value: -584.9551 mgc: 0.584707 ustep: 0.7447597 
iter: 7  value: -584.9591 mgc: 0.2076866 ustep: 0.8630083 
iter: 8  value: -584.9605 mgc: 0.1890687 ustep: 0.9289895 
iter: 9  value: -584.9608 mgc: 0.06548338 ustep: 0.9638446 
iter: 10  value: -584.9608 mgc: 0.01113573 ustep: 0.9817577 
iter: 11  value: -584.9608 mgc: 0.0007985811 ustep: 0.9908378 
iter: 12  value: -584.9608 mgc: 2.159948e-05 ustep: 0.9954088 
iter: 13  value: -584.9608 mgc: 2.298819e-07 ustep: 0.997702 
iter: 14  mgc: 5.133654e-09 
iter: 1  mgc: 5.133654e-09 
outer mgc:  160.3162 
 18:     941.65700: -8.25792 -8.31043 -7.90367 -7.62947 -7.08126 -6.88463 -13.1426 -8.11412 -7.58878 -7.21846 -6.96057 -6.73963 -6.34658 -6.13139 -5.82045 -5.69096  2.60466  1.07567  1.24975 -1.68570 -1.26049 -0.507025 0.00468931 0.293966 0.433458 0.577096 0.705250 0.832857 0.387289 0.265694  1.33324 -3.25506 -1.47425
iter: 1  value: -160.1937 mgc: 101.1895 ustep: 1 
iter: 2  value: -547.954 mgc: 1003.729 ustep: 0.008923143 
iter: 3  value: -579.3112 mgc: 853.2997 ustep: 0.001549835 
iter: 4  value: -584.926 mgc: 39.14501 ustep: 0.03946401 
iter: 5  value: -586.4638 mgc: 123.098 ustep: 0.05387401 
iter: 6  value: -587.4346 mgc: 18.73769 ustep: 0.2321845 
iter: 7  value: -587.6401 mgc: 50.30535 ustep: 0.4819071 
iter: 8  value: -587.6639 mgc: 2.031153 ustep: 0.6942259 
iter: 9  value: -587.6678 mgc: 0.7705002 ustep: 0.8332189 
iter: 10  value: -587.6694 mgc: 0.4696775 ustep: 0.912817 
iter: 11  value: -587.6698 mgc: 0.2467591 ustep: 0.955419 
iter: 12  value: -587.6699 mgc: 0.0908246 ustep: 0.9774576 
iter: 13  value: -587.6699 mgc: 0.0141118 ustep: 0.9886657 
iter: 14  value: -587.6699 mgc: 0.0007396327 ustep: 0.9943173 
iter: 15  value: -587.6699 mgc: 1.088728e-05 ustep: 0.9971549 
iter: 16  value: -587.6699 mgc: 5.821506e-08 ustep: 0.9985766 
iter: 17  mgc: 8.169805e-10 
iter: 1  mgc: 8.169805e-10 
outer mgc:  76.72895 
 19:     915.71528: -8.22089 -8.22803 -7.81702 -7.55358 -7.03958 -6.83183 -13.0073 -8.00625 -7.48810 -7.13660 -6.89689 -6.69442 -6.32612 -6.12675 -5.82983 -5.73502  2.55702  1.13541  1.23208 -1.78304 -1.24717 -0.530226 -0.0599611 0.243301 0.394793 0.547236 0.663302 0.755703 0.355913 0.317827  1.32134 -3.22003 -1.43439
iter: 1  value: -615.4392 mgc: 79.4516 ustep: 1 
iter: 2  value: -628.6063 mgc: 237.7871 ustep: 0.03522464 
iter: 3  value: -628.6253 mgc: 2.648891 ustep: 0.1877635 
iter: 4  value: -628.6317 mgc: 0.1362287 ustep: 0.4333735 
iter: 5  value: -628.6328 mgc: 0.02271886 ustep: 0.6583453 
iter: 6  value: -628.633 mgc: 0.01499759 ustep: 0.8114037 
iter: 7  value: -628.6331 mgc: 0.02170223 ustep: 0.9007894 
iter: 8  value: -628.6332 mgc: 0.01053874 ustep: 0.9491043 
iter: 9  value: -628.6332 mgc: 0.002224345 ustep: 0.9742224 
iter: 10  value: -628.6332 mgc: 0.0002406084 ustep: 0.9870284 
iter: 11  value: -628.6332 mgc: 1.217048e-05 ustep: 0.9934937 
iter: 12  value: -628.6332 mgc: 2.422712e-07 ustep: 0.9967418 
iter: 13  mgc: 8.023398e-09 
iter: 1  mgc: 8.023398e-09 
outer mgc:  32.26993 
 20:     897.48439: -8.34214 -8.28139 -7.84204 -7.58121 -7.09014 -6.83697 -13.2425 -8.01122 -7.47617 -7.13378 -6.90829 -6.72150 -6.36844 -6.18064 -5.88932 -5.81303  2.55785  1.05279  1.26147 -1.87803 -1.21693 -0.515958 -0.0156862 0.276177 0.427029 0.588835 0.713274 0.798642 0.357643 0.321866  1.32844 -3.23447 -1.40819
iter: 1  value: -634.8779 mgc: 76.13102 ustep: 1 
iter: 2  value: -650.3223 mgc: 229.5313 ustep: 0.03522464 
iter: 3  value: -650.3491 mgc: 2.982489 ustep: 0.1877635 
iter: 4  value: -650.3561 mgc: 0.426475 ustep: 0.4333735 
iter: 5  value: -650.3571 mgc: 0.04631418 ustep: 0.6583453 
iter: 6  value: -650.3573 mgc: 0.02451568 ustep: 0.8114037 
iter: 7  value: -650.3573 mgc: 0.02098051 ustep: 0.9007894 
iter: 8  value: -650.3573 mgc: 0.008070846 ustep: 0.9491043 
iter: 9  value: -650.3573 mgc: 0.001132392 ustep: 0.9742224 
iter: 10  value: -650.3573 mgc: 8.140386e-05 ustep: 0.9870284 
iter: 11  value: -650.3573 mgc: 3.330587e-06 ustep: 0.9934937 
iter: 12  value: -650.3573 mgc: 1.16955e-07 ustep: 0.9967418 
iter: 13  mgc: 3.377586e-09 
iter: 1  mgc: 3.377586e-09 
outer mgc:  88.53585 
 21:     884.26102: -8.47550 -8.27820 -7.80159 -7.55344 -7.11892 -6.82060 -13.4401 -7.93616 -7.39423 -7.07620 -6.87777 -6.72002 -6.40064 -6.23860 -5.96866 -5.92218  2.53049  1.03201  1.28726 -1.99552 -1.22120 -0.523694 0.00583038 0.262981 0.396898 0.548610 0.689212 0.801602 0.351811 0.329698  1.32116 -3.24934 -1.36612
iter: 1  value: -629.5997 mgc: 99.23508 ustep: 1 
iter: 2  value: -650.9424 mgc: 236.3372 ustep: 0.03522464 
iter: 3  value: -651.009 mgc: 5.19495 ustep: 0.1877635 
iter: 4  value: -651.0252 mgc: 0.7411358 ustep: 0.4333735 
iter: 5  value: -651.0276 mgc: 0.09695344 ustep: 0.6583453 
iter: 6  value: -651.0279 mgc: 0.02178518 ustep: 0.8114037 
iter: 7  value: -651.028 mgc: 0.02546028 ustep: 0.9007894 
iter: 8  value: -651.0281 mgc: 0.01079847 ustep: 0.9491043 
iter: 9  value: -651.0281 mgc: 0.001657851 ustep: 0.9742224 
iter: 10  value: -651.0281 mgc: 0.0001233883 ustep: 0.9870284 
iter: 11  value: -651.0281 mgc: 5.058209e-06 ustep: 0.9934937 
iter: 12  value: -651.0281 mgc: 1.914374e-07 ustep: 0.9967418 
iter: 13  mgc: 5.366777e-09 
iter: 1  mgc: 5.366777e-09 
outer mgc:  98.82052 
 22:     870.85036: -8.51163 -8.18000 -7.68385 -7.45442 -7.08488 -6.78009 -13.3972 -7.78798 -7.26157 -6.97247 -6.80015 -6.67076 -6.39062 -6.25888 -6.01894 -5.98501  2.48062  1.04967  1.28606 -1.99066 -1.16945 -0.475029 0.0314900 0.284475 0.412949 0.554468 0.687970 0.807946 0.347712 0.262277  1.30881 -3.21950 -1.33117
iter: 1  value: -673.1367 mgc: 71.1904 ustep: 1 
iter: 2  value: -675.1688 mgc: 79.23019 ustep: 0.4367355 
iter: 3  value: -675.1694 mgc: 0.08338979 ustep: 0.6608936 
iter: 4  value: -675.1694 mgc: 0.008722272 ustep: 0.8129723 
iter: 5  value: -675.1694 mgc: 0.0005735127 ustep: 0.9016596 
iter: 6  value: -675.1695 mgc: 0.0001101546 ustep: 0.9495626 
iter: 7  value: -675.1695 mgc: 3.010002e-05 ustep: 0.9744576 
iter: 8  value: -675.1695 mgc: 5.103894e-06 ustep: 0.9871475 
iter: 9  value: -675.1695 mgc: 4.895843e-07 ustep: 0.9935536 
iter: 10  value: -675.1695 mgc: 2.458663e-08 ustep: 0.9967719 
iter: 11  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 6.325719e-10 
iter: 1  mgc: 6.325719e-10 
outer mgc:  52.73678 
 23:     859.86406: -8.66036 -8.16837 -7.64731 -7.42664 -7.10319 -6.83271 -13.6069 -7.74204 -7.22940 -6.94940 -6.78290 -6.66722 -6.41184 -6.30895 -6.09659 -6.05920  2.46606  1.00119  1.32165 -1.99605 -1.20500 -0.478194 -0.0915320 0.277064 0.460372 0.624985 0.712315 0.776800 0.367774 0.293107  1.30547 -3.22628 -1.30369
iter: 1  value: -689.5887 mgc: 80.82211 ustep: 1 
iter: 2  value: -692.8481 mgc: 89.91993 ustep: 0.0692153 
iter: 3  value: -692.8536 mgc: 0.605872 ustep: 0.2631617 
iter: 4  value: -692.855 mgc: 0.04632823 ustep: 0.5130416 
iter: 5  value: -692.8551 mgc: 0.004041513 ustep: 0.7162976 
iter: 6  value: -692.8552 mgc: 0.005408101 ustep: 0.846359 
iter: 7  value: -692.8552 mgc: 0.004828381 ustep: 0.9199857 
iter: 8  value: -692.8552 mgc: 0.001520807 ustep: 0.959163 
iter: 9  value: -692.8552 mgc: 0.0002301402 ustep: 0.9793707 
iter: 10  value: -692.8552 mgc: 1.782174e-05 ustep: 0.9896326 
iter: 11  value: -692.8552 mgc: 5.925161e-07 ustep: 0.9948033 
iter: 12  value: -692.8552 mgc: 2.473211e-08 ustep: 0.9973985 
iter: 13  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 6.063056e-10 
iter: 1  mgc: 6.063056e-10 
outer mgc:  38.13401 
 24:     850.70743: -8.82000 -8.16832 -7.63008 -7.41764 -7.12708 -6.87467 -13.8370 -7.72563 -7.22827 -6.95355 -6.79035 -6.67806 -6.43260 -6.35084 -6.16674 -6.12322  2.45637 0.976537  1.36369 -1.98480 -1.19081 -0.494234 0.0466232 0.285729 0.426523 0.601324 0.732771 0.797008 0.355035 0.294158  1.28618 -3.23878 -1.25015
iter: 1  value: -590.3131 mgc: 74.6856 ustep: 1 
iter: 2  value: -676.2777 mgc: 483.8312 ustep: 0.01776843 
iter: 3  value: -676.6159 mgc: 21.17104 ustep: 0.133385 
iter: 4  value: -676.6813 mgc: 4.884946 ustep: 0.3652825 
iter: 5  value: -676.6905 mgc: 1.312238 ustep: 0.6044256 
iter: 6  value: -676.6919 mgc: 0.1508273 ustep: 0.7774704 
iter: 7  value: -676.6924 mgc: 0.1875264 ustep: 0.8817547 
iter: 8  value: -676.6925 mgc: 0.09282921 ustep: 0.939024 
iter: 9  value: -676.6925 mgc: 0.02229557 ustep: 0.9690356 
iter: 10  value: -676.6925 mgc: 0.002400477 ustep: 0.9843976 
iter: 11  value: -676.6925 mgc: 0.0001085531 ustep: 0.9921689 
iter: 12  value: -676.6925 mgc: 2.020198e-06 ustep: 0.9960772 
iter: 13  value: -676.6925 mgc: 2.369574e-08 ustep: 0.9980368 
iter: 14  mgc: 4.636685e-10 
iter: 1  value: -650.4216 mgc: 54.62682 ustep: 1 
iter: 2  value: -686.9466 mgc: 307.6267 ustep: 0.03522464 
iter: 3  value: -687.1171 mgc: 12.04086 ustep: 0.1877635 
iter: 4  value: -687.1409 mgc: 2.660481 ustep: 0.4333735 
iter: 5  value: -687.1435 mgc: 0.5202618 ustep: 0.6583453 
iter: 6  value: -687.144 mgc: 0.4008723 ustep: 0.8114037 
iter: 7  value: -687.1441 mgc: 0.2127172 ustep: 0.9007894 
iter: 8  value: -687.1442 mgc: 0.07383953 ustep: 0.9491043 
iter: 9  value: -687.1442 mgc: 0.01273481 ustep: 0.9742224 
iter: 10  value: -687.1442 mgc: 0.0008769761 ustep: 0.9870284 
iter: 11  value: -687.1442 mgc: 2.523474e-05 ustep: 0.9934937 
iter: 12  value: -687.1442 mgc: 3.293777e-07 ustep: 0.9967418 
iter: 13  mgc: 7.087489e-09 
iter: 1  value: -684.7433 mgc: 35.0068 ustep: 1 
iter: 2  value: -692.4291 mgc: 145.8587 ustep: 0.0692153 
iter: 3  value: -692.4458 mgc: 1.42154 ustep: 0.2631617 
iter: 4  value: -692.4482 mgc: 0.3471848 ustep: 0.5130416 
iter: 5  value: -692.4485 mgc: 0.02890591 ustep: 0.7162976 
iter: 6  value: -692.4486 mgc: 0.02004282 ustep: 0.846359 
iter: 7  value: -692.4486 mgc: 0.0167888 ustep: 0.9199857 
iter: 8  value: -692.4486 mgc: 0.004198241 ustep: 0.959163 
iter: 9  value: -692.4486 mgc: 0.0004860294 ustep: 0.9793707 
iter: 10  value: -692.4486 mgc: 3.168069e-05 ustep: 0.9896326 
iter: 11  value: -692.4486 mgc: 9.669384e-07 ustep: 0.9948033 
iter: 12  value: -692.4486 mgc: 3.008743e-08 ustep: 0.9973985 
iter: 13  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 7.434504e-10 
iter: 1  mgc: 7.434504e-10 
outer mgc:  56.03747 
 25:     850.22983: -8.82843 -8.16506 -7.62552 -7.41386 -7.12689 -6.87178 -13.8453 -7.71956 -7.22238 -6.94911 -6.78748 -6.67700 -6.43368 -6.35352 -6.17141 -6.13303  2.44565 0.979289  1.36488 -2.00826 -1.20037 -0.505098 0.0207087 0.268724 0.409805 0.579637 0.709699 0.778051 0.357959 0.313515  1.28781 -3.23747 -1.24553
iter: 1  value: -692.6876 mgc: 25.8217 ustep: 1 
iter: 2  value: -693.8183 mgc: 56.56966 ustep: 0.1336527 
iter: 3  value: -693.8198 mgc: 0.1652858 ustep: 0.3656489 
iter: 4  value: -693.82 mgc: 0.01842126 ustep: 0.6047286 
iter: 5  value: -693.82 mgc: 0.001435371 ustep: 0.7776652 
iter: 6  value: -693.82 mgc: 0.001788116 ustep: 0.8818651 
iter: 7  value: -693.8201 mgc: 0.0009397218 ustep: 0.9390828 
iter: 8  value: -693.8201 mgc: 0.0001729499 ustep: 0.969066 
iter: 9  value: -693.8201 mgc: 1.642197e-05 ustep: 0.984413 
iter: 10  value: -693.8201 mgc: 1.099417e-06 ustep: 0.9921767 
iter: 11  value: -693.8201 mgc: 6.541963e-08 ustep: 0.9960811 
iter: 12  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 2.362617e-09 
iter: 1  mgc: 2.362617e-09 
outer mgc:  23.79389 
 26:     846.86536: -8.85060 -8.15442 -7.61459 -7.40485 -7.12460 -6.86442 -13.8626 -7.70894 -7.21477 -6.94363 -6.78397 -6.67554 -6.43494 -6.35776 -6.18162 -6.14405  2.43627 0.981332  1.37156 -2.00540 -1.17756 -0.481773 0.0300253 0.289940 0.422199 0.574789 0.706570 0.794371 0.357837 0.294644  1.28460 -3.23264 -1.23546
iter: 1  value: -695.3103 mgc: 39.68341 ustep: 1 
iter: 2  value: -695.3883 mgc: 21.02733 ustep: 0.6827823 
iter: 3  value: -695.3884 mgc: 0.01214933 ustep: 0.8263238 
iter: 4  value: -695.3884 mgc: 0.001266505 ustep: 0.9090326 
iter: 5  value: -695.3884 mgc: 0.000108627 ustep: 0.9534367 
iter: 6  value: -695.3884 mgc: 8.8307e-06 ustep: 0.9764432 
iter: 7  value: -695.3884 mgc: 1.160064e-06 ustep: 0.9881526 
iter: 8  value: -695.3884 mgc: 9.626066e-08 ustep: 0.9940592 
iter: 9  mgc: 4.215828e-09 
iter: 1  mgc: 4.215828e-09 
outer mgc:  29.60045 
 27:     845.18823: -8.87928 -8.14229 -7.60165 -7.39421 -7.12217 -6.85690 -13.8865 -7.69577 -7.20418 -6.93585 -6.77899 -6.67331 -6.43677 -6.36392 -6.19485 -6.16036  2.42091 0.976200  1.38018 -2.01904 -1.16747 -0.476743 0.0245209 0.284909 0.417879 0.565832 0.694323 0.790686 0.360840 0.316055  1.28224 -3.22746 -1.22524
iter: 1  value: -695.4758 mgc: 29.11139 ustep: 1 
iter: 2  value: -695.5816 mgc: 13.31239 ustep: 0.6827823 
iter: 3  value: -695.5816 mgc: 0.03804924 ustep: 0.8263238 
iter: 4  value: -695.5816 mgc: 0.0175342 ustep: 0.9090326 
iter: 5  value: -695.5816 mgc: 0.002289811 ustep: 0.9534367 
iter: 6  value: -695.5816 mgc: 0.0001025955 ustep: 0.9764432 
iter: 7  value: -695.5816 mgc: 2.916458e-06 ustep: 0.9881526 
iter: 8  value: -695.5816 mgc: 2.754204e-07 ustep: 0.9940592 
iter: 9  value: -695.5816 mgc: 1.351245e-08 ustep: 0.9970255 
iter: 10  mgc: 3.414565e-10 
iter: 1  mgc: 3.414565e-10 
outer mgc:  28.90202 
 28:     842.10601: -8.94722 -8.11401 -7.57418 -7.37157 -7.11482 -6.84689 -13.9382 -7.67100 -7.18476 -6.92149 -6.76966 -6.66816 -6.43914 -6.37589 -6.22231 -6.18904  2.40258 0.980221  1.40625 -2.00471 -1.13872 -0.467664 0.0456283 0.270232 0.409910 0.578310 0.695841 0.771511 0.356693 0.301637  1.27111 -3.22149 -1.19485
iter: 1  value: -701.9951 mgc: 32.10298 ustep: 1 
iter: 2  value: -702.0289 mgc: 11.40598 ustep: 1 
iter: 3  value: -702.0289 mgc: 0.001286034 ustep: 1 
iter: 4  value: -702.0289 mgc: 5.770406e-06 ustep: 1 
mgc: 7.649581e-11 
iter: 1  mgc: 7.649581e-11 
outer mgc:  18.51829 
 29:     840.09280: -9.01052 -8.11718 -7.57503 -7.37339 -7.12327 -6.86234 -14.0180 -7.67280 -7.18516 -6.92274 -6.77321 -6.67517 -6.44843 -6.38849 -6.24230 -6.20901  2.38999 0.965127  1.43251 -1.99617 -1.13929 -0.466195 0.0233982 0.309818 0.414412 0.542655 0.689163 0.772423 0.359955 0.323891  1.26890 -3.22489 -1.17533
iter: 1  value: -702.4784 mgc: 56.37027 ustep: 1 
iter: 2  value: -703.2345 mgc: 39.85092 ustep: 0.4367355 
iter: 3  value: -703.2348 mgc: 0.02550229 ustep: 0.6608936 
iter: 4  value: -703.2348 mgc: 0.001478768 ustep: 0.8129723 
iter: 5  value: -703.2348 mgc: 0.001041091 ustep: 0.9016596 
iter: 6  value: -703.2348 mgc: 0.0004140777 ustep: 0.9495626 
iter: 7  value: -703.2348 mgc: 7.124455e-05 ustep: 0.9744576 
iter: 8  value: -703.2348 mgc: 6.63467e-06 ustep: 0.9871475 
iter: 9  value: -703.2348 mgc: 3.770717e-07 ustep: 0.9935536 
iter: 10  value: -703.2348 mgc: 2.181095e-08 ustep: 0.9967719 
iter: 11  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 6.488782e-10 
iter: 1  mgc: 6.488782e-10 
outer mgc:  29.68138 
 30:     839.24922: -9.13238 -8.13912 -7.59270 -7.39041 -7.14319 -6.91530 -14.1705 -7.68886 -7.19524 -6.93356 -6.78355 -6.68825 -6.46722 -6.41146 -6.27220 -6.23521  2.37204 0.957014  1.50379 -1.95502 -1.13009 -0.418526 0.0165050 0.224242 0.451905 0.566525 0.642335 0.817266 0.374440 0.327775  1.26472 -3.21952 -1.16617
iter: 1  value: -688.1351 mgc: 49.48736 ustep: 1 
iter: 2  value: -691.5768 mgc: 95.55708 ustep: 0.4367355 
iter: 3  value: -691.578 mgc: 0.07081533 ustep: 0.6608936 
iter: 4  value: -691.578 mgc: 0.01518251 ustep: 0.8129723 
iter: 5  value: -691.5781 mgc: 0.005341105 ustep: 0.9016596 
iter: 6  value: -691.5781 mgc: 0.002407614 ustep: 0.9495626 
iter: 7  value: -691.5781 mgc: 0.0004275049 ustep: 0.9744576 
iter: 8  value: -691.5781 mgc: 4.043646e-05 ustep: 0.9871475 
iter: 9  value: -691.5781 mgc: 1.78947e-06 ustep: 0.9935536 
iter: 10  value: -691.5781 mgc: 5.256559e-08 ustep: 0.9967719 
iter: 11  mgc: 1.660798e-09 
iter: 1  mgc: 1.660798e-09 
outer mgc:  48.42612 
 31:     836.41431: -9.24402 -8.11042 -7.55988 -7.36393 -7.13811 -6.93161 -14.2393 -7.64726 -7.15785 -6.90519 -6.76385 -6.67837 -6.47277 -6.43323 -6.30828 -6.26941  2.31700 0.973574  1.59206 -1.92188 -1.07993 -0.442523 0.00586030 0.245874 0.350040 0.605620 0.650234 0.712614 0.405941 0.338249  1.25839 -3.17935 -1.16787
iter: 1  value: -649.9656 mgc: 65.0169 ustep: 1 
iter: 2  value: -671.5481 mgc: 218.0579 ustep: 0.03522464 
iter: 3  value: -671.6004 mgc: 5.519166 ustep: 0.1877635 
iter: 4  value: -671.6153 mgc: 0.5894874 ustep: 0.4333735 
iter: 5  value: -671.6176 mgc: 0.08225019 ustep: 0.6583453 
iter: 6  value: -671.618 mgc: 0.02275598 ustep: 0.8114037 
iter: 7  value: -671.6182 mgc: 0.03080765 ustep: 0.9007894 
iter: 8  value: -671.6182 mgc: 0.012685 ustep: 0.9491043 
iter: 9  value: -671.6182 mgc: 0.002083907 ustep: 0.9742224 
iter: 10  value: -671.6182 mgc: 0.000172862 ustep: 0.9870284 
iter: 11  value: -671.6182 mgc: 6.950339e-06 ustep: 0.9934937 
iter: 12  value: -671.6182 mgc: 1.349814e-07 ustep: 0.9967418 
iter: 13  mgc: 4.158191e-09 
iter: 1  value: -676.9754 mgc: 27.71944 ustep: 1 
iter: 2  value: -689.0458 mgc: 193.1222 ustep: 0.03522464 
iter: 3  value: -689.0694 mgc: 3.110788 ustep: 0.1877635 
iter: 4  value: -689.0764 mgc: 0.2586116 ustep: 0.4333735 
iter: 5  value: -689.0775 mgc: 0.03340473 ustep: 0.6583453 
iter: 6  value: -689.0777 mgc: 0.01305033 ustep: 0.8114037 
iter: 7  value: -689.0778 mgc: 0.02070427 ustep: 0.9007894 
iter: 8  value: -689.0778 mgc: 0.008034947 ustep: 0.9491043 
iter: 9  value: -689.0778 mgc: 0.001278271 ustep: 0.9742224 
iter: 10  value: -689.0778 mgc: 0.0001068108 ustep: 0.9870284 
iter: 11  value: -689.0778 mgc: 4.259713e-06 ustep: 0.9934937 
iter: 12  value: -689.0778 mgc: 1.015606e-07 ustep: 0.9967418 
iter: 13  mgc: 3.049294e-09 
iter: 1  mgc: 3.049294e-09 
outer mgc:  67.24429 
 32:     836.36292: -9.26819 -8.09714 -7.54585 -7.35253 -7.13451 -6.91781 -14.2468 -7.63258 -7.14785 -6.89787 -6.75886 -6.67611 -6.47403 -6.43800 -6.31882 -6.27655  2.29957 0.964984  1.61631 -1.89708 -1.04208 -0.424844 0.0407986 0.283742 0.400329 0.581616 0.681605 0.719228 0.411495 0.333931  1.25120 -3.16204 -1.17198
iter: 1  value: -688.0589 mgc: 32.34957 ustep: 1 
iter: 2  value: -692.3586 mgc: 104.5419 ustep: 0.0692153 
iter: 3  value: -692.3655 mgc: 0.7058666 ustep: 0.2631617 
iter: 4  value: -692.3668 mgc: 0.1586953 ustep: 0.5130416 
iter: 5  value: -692.3669 mgc: 0.006611587 ustep: 0.7162976 
iter: 6  value: -692.367 mgc: 0.006117436 ustep: 0.846359 
iter: 7  value: -692.367 mgc: 0.005985808 ustep: 0.9199857 
iter: 8  value: -692.367 mgc: 0.001708218 ustep: 0.959163 
iter: 9  value: -692.367 mgc: 0.0002281741 ustep: 0.9793707 
iter: 10  value: -692.367 mgc: 1.629034e-05 ustep: 0.9896326 
iter: 11  value: -692.367 mgc: 5.231746e-07 ustep: 0.9948033 
iter: 12  value: -692.367 mgc: 1.97253e-08 ustep: 0.9973985 
iter: 13  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 4.852859e-10 
iter: 1  mgc: 4.852859e-10 
outer mgc:  17.55383 
 33:     832.58588: -9.27012 -8.09392 -7.54238 -7.34957 -7.13330 -6.91415 -14.2454 -7.62892 -7.14532 -6.89592 -6.75740 -6.67515 -6.47384 -6.43857 -6.32061 -6.28230  2.29386 0.962933  1.61945 -1.91362 -1.05721 -0.440676 0.0261066 0.268133 0.391632 0.557696 0.665230 0.703292 0.410453 0.357311  1.24933 -3.15775 -1.17062
iter: 1  value: -689.8271 mgc: 17.04608 ustep: 1 
iter: 2  value: -689.8554 mgc: 8.166974 ustep: 1 
iter: 3  value: -689.8554 mgc: 0.00424376 ustep: 1 
iter: 4  value: -689.8554 mgc: 0.0002566727 ustep: 1 
iter: 5  mgc: 9.064349e-11 
iter: 1  mgc: 9.064349e-11 
outer mgc:  29.71439 
 34:     831.82388: -9.27975 -8.08380 -7.53125 -7.34029 -7.13018 -6.89519 -14.2442 -7.61901 -7.14079 -6.89282 -6.75516 -6.67331 -6.47356 -6.44122 -6.32777 -6.29396  2.27969 0.961301  1.63876 -1.90253 -1.05230 -0.427576 0.0333771 0.280370 0.396370 0.540379 0.654363 0.712998 0.408022 0.347585  1.24338 -3.14434 -1.16283
iter: 1  value: -685.9178 mgc: 26.67543 ustep: 1 
iter: 2  value: -685.9408 mgc: 7.448126 ustep: 1 
iter: 3  value: -685.9408 mgc: 0.003672969 ustep: 1 
iter: 4  value: -685.9408 mgc: 8.369288e-05 ustep: 1 
iter: 5  mgc: 9.887713e-11 
iter: 1  mgc: 9.887713e-11 
outer mgc:  18.78271 
 35:     831.15575: -9.29106 -8.07852 -7.52607 -7.33599 -7.12884 -6.88028 -14.2493 -7.61811 -7.14414 -6.89584 -6.75774 -6.67424 -6.47363 -6.44331 -6.33387 -6.29963  2.26816 0.957637  1.66911 -1.89828 -1.04205 -0.423181 0.0330393 0.268168 0.389150 0.533817 0.648077 0.711695 0.409367 0.371341  1.23660 -3.12309 -1.16098
iter: 1  value: -682.3359 mgc: 10.85691 ustep: 1 
iter: 2  value: -682.3473 mgc: 4.292875 ustep: 1 
iter: 3  value: -682.3473 mgc: 0.001407747 ustep: 1 
iter: 4  value: -682.3473 mgc: 1.992651e-05 ustep: 1 
mgc: 8.328138e-11 
iter: 1  mgc: 8.328138e-11 
outer mgc:  12.86107 
 36:     830.56947: -9.30912 -8.07820 -7.52566 -7.33584 -7.13019 -6.88539 -14.2674 -7.61989 -7.14538 -6.89688 -6.75942 -6.67622 -6.47566 -6.44633 -6.33934 -6.30148  2.25630 0.955966  1.70021 -1.88250 -1.02289 -0.420103 0.0360286 0.266913 0.396049 0.533415 0.645423 0.697080 0.411032 0.367747  1.23209 -3.10604 -1.15530
iter: 1  value: -673.4774 mgc: 11.81164 ustep: 1 
iter: 2  value: -673.4906 mgc: 4.099264 ustep: 1 
iter: 3  value: -673.4906 mgc: 0.001645511 ustep: 1 
iter: 4  value: -673.4906 mgc: 3.517209e-05 ustep: 1 
mgc: 9.844747e-11 
iter: 1  mgc: 9.844747e-11 
outer mgc:  19.32846 
 37:     829.84839: -9.34396 -8.07914 -7.52593 -7.33639 -7.13365 -6.91068 -14.3055 -7.61981 -7.14039 -6.89312 -6.75828 -6.67796 -6.47937 -6.45180 -6.34888 -6.30914  2.23850 0.957002  1.76292 -1.85089 -1.01749 -0.406021 0.0241999 0.273625 0.365889 0.530005 0.618767 0.688209 0.414504 0.379512  1.22198 -3.07051 -1.15084
iter: 1  value: -663.023 mgc: 11.45219 ustep: 1 
iter: 2  value: -663.054 mgc: 8.19582 ustep: 1 
iter: 3  value: -663.054 mgc: 0.003166604 ustep: 1 
iter: 4  value: -663.054 mgc: 0.0001423052 ustep: 1 
iter: 5  mgc: 6.776801e-11 
iter: 1  mgc: 6.776801e-11 
outer mgc:  14.33572 
 38:     828.69265: -9.36286 -8.06632 -7.51333 -7.32564 -7.12860 -6.91350 -14.3068 -7.60374 -7.12377 -6.88006 -6.74843 -6.67227 -6.47903 -6.45491 -6.35683 -6.32014  2.21300 0.953408  1.82308 -1.81231 -0.992449 -0.399931 0.0336023 0.261347 0.377731 0.511157 0.632005 0.673727 0.427643 0.399491  1.21376 -3.02225 -1.15980
iter: 1  value: -653.8002 mgc: 14.43994 ustep: 1 
iter: 2  value: -653.9419 mgc: 33.05511 ustep: 0.4367355 
iter: 3  value: -653.9419 mgc: 0.007147445 ustep: 0.6608936 
iter: 4  value: -653.9419 mgc: 0.0004636642 ustep: 0.8129723 
iter: 5  value: -653.9419 mgc: 0.0003672376 ustep: 0.9016596 
iter: 6  value: -653.9419 mgc: 0.0001277084 ustep: 0.9495626 
iter: 7  value: -653.9419 mgc: 1.986233e-05 ustep: 0.9744576 
iter: 8  value: -653.9419 mgc: 1.81123e-06 ustep: 0.9871475 
iter: 9  value: -653.9419 mgc: 1.466842e-07 ustep: 0.9935536 
iter: 10  mgc: 8.853217e-09 
iter: 1  mgc: 8.853217e-09 
outer mgc:  27.99516 
 39:     828.27652: -9.37768 -8.06082 -7.50745 -7.32096 -7.12757 -6.88821 -14.3141 -7.59643 -7.12268 -6.88019 -6.74793 -6.67225 -6.48213 -6.46023 -6.36354 -6.33665  2.18198 0.944917  1.88032 -1.79389 -0.966119 -0.411155 0.0325342 0.255850 0.390130 0.501835 0.583937 0.644380 0.436985 0.405560  1.20767 -2.97780 -1.15856
iter: 1  value: -641.2654 mgc: 9.475046 ustep: 1 
iter: 2  value: -641.5186 mgc: 33.17227 ustep: 0.4367355 
iter: 3  value: -641.5187 mgc: 0.04991694 ustep: 0.6608936 
iter: 4  value: -641.5188 mgc: 0.001989784 ustep: 0.8129723 
iter: 5  value: -641.5188 mgc: 0.0004605226 ustep: 0.9016596 
iter: 6  value: -641.5188 mgc: 0.0001748602 ustep: 0.9495626 
iter: 7  value: -641.5188 mgc: 2.508497e-05 ustep: 0.9744576 
iter: 8  value: -641.5188 mgc: 2.398995e-06 ustep: 0.9871475 
iter: 9  value: -641.5188 mgc: 1.930629e-07 ustep: 0.9935536 
iter: 10  value: -641.5188 mgc: 1.073316e-08 ustep: 0.9967719 
iter: 11  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 3.098914e-10 
iter: 1  mgc: 3.098914e-10 
outer mgc:  30.03395 
 40:     827.28185: -9.38702 -8.06920 -7.51552 -7.32817 -7.13300 -6.86064 -14.3347 -7.60637 -7.14096 -6.89657 -6.75958 -6.67909 -6.48649 -6.46562 -6.36868 -6.34924  2.16515 0.944654  1.93639 -1.77114 -0.938311 -0.370410 0.0338684 0.258839 0.371821 0.510485 0.578735 0.658445 0.441217 0.414415  1.19992 -2.92602 -1.15922
iter: 1  value: -627.447 mgc: 13.67486 ustep: 1 
iter: 2  value: -627.6354 mgc: 20.72353 ustep: 0.6827823 
iter: 3  value: -627.6354 mgc: 0.01850835 ustep: 0.8263238 
iter: 4  value: -627.6354 mgc: 0.005450141 ustep: 0.9090326 
iter: 5  value: -627.6354 mgc: 0.0004274758 ustep: 0.9534367 
iter: 6  value: -627.6354 mgc: 2.215909e-05 ustep: 0.9764432 
iter: 7  value: -627.6354 mgc: 1.996217e-06 ustep: 0.9881526 
iter: 8  value: -627.6354 mgc: 1.613039e-07 ustep: 0.9940592 
iter: 9  mgc: 8.196601e-09 
iter: 1  mgc: 8.196601e-09 
outer mgc:  16.74851 
 41:     826.48792: -9.40743 -8.07330 -7.51822 -7.33072 -7.13711 -6.87051 -14.3628 -7.61039 -7.14660 -6.90175 -6.76451 -6.68300 -6.48971 -6.47149 -6.37788 -6.35848  2.14885 0.949628  1.99611 -1.75097 -0.932407 -0.354049 0.0224302 0.240078 0.348174 0.478079 0.596720 0.639346 0.443110 0.438086  1.19017 -2.87370 -1.15310
iter: 1  value: -612.9741 mgc: 7.950676 ustep: 1 
iter: 2  value: -613.0279 mgc: 19.88691 ustep: 0.6827823 
iter: 3  value: -613.028 mgc: 0.04882291 ustep: 0.8263238 
iter: 4  value: -613.028 mgc: 0.02741573 ustep: 0.9090326 
iter: 5  value: -613.028 mgc: 0.001919501 ustep: 0.9534367 
iter: 6  value: -613.028 mgc: 8.003055e-05 ustep: 0.9764432 
iter: 7  value: -613.028 mgc: 2.560315e-06 ustep: 0.9881526 
iter: 8  value: -613.028 mgc: 1.96908e-07 ustep: 0.9940592 
iter: 9  mgc: 9.103846e-09 
iter: 1  mgc: 9.103846e-09 
outer mgc:  13.00594 
 42:     825.43013: -9.41911 -8.06836 -7.51122 -7.32500 -7.13649 -6.90259 -14.3722 -7.60373 -7.13617 -6.89270 -6.76039 -6.68198 -6.49102 -6.47560 -6.38613 -6.35978  2.13549 0.950637  2.05435 -1.70624 -0.916503 -0.366941 0.0446395 0.247987 0.353724 0.478142 0.579480 0.635074 0.447838 0.450875  1.18030 -2.81388 -1.15065
iter: 1  value: -600.7409 mgc: 12.26308 ustep: 1 
iter: 2  value: -600.8002 mgc: 20.7337 ustep: 1 
iter: 3  value: -600.8002 mgc: 0.001923895 ustep: 1 
iter: 4  value: -600.8002 mgc: 0.0002319668 ustep: 1 
iter: 5  mgc: 9.346834e-11 
iter: 1  mgc: 9.346834e-11 
outer mgc:  35.33388 
 43:     824.86361: -9.42204 -8.06640 -7.51015 -7.32403 -7.13610 -6.90284 -14.3725 -7.60355 -7.13379 -6.89123 -6.76026 -6.68305 -6.49258 -6.47764 -6.39024 -6.36949  2.10980 0.932173  2.11804 -1.68127 -0.913142 -0.350575 0.0307877 0.241608 0.341621 0.471921 0.547959 0.619357 0.458638 0.441759  1.17930 -2.74679 -1.15225
iter: 1  value: -582.9957 mgc: 12.4974 ustep: 1 
iter: 2  value: -583.0071 mgc: 10.92064 ustep: 1 
iter: 3  value: -583.0071 mgc: 0.0008510259 ustep: 1 
iter: 4  value: -583.0071 mgc: 7.802071e-05 ustep: 1 
mgc: 1.148734e-10 
iter: 1  mgc: 1.148734e-10 
outer mgc:  11.37498 
 44:     823.69020: -9.43011 -8.07137 -7.51724 -7.33025 -7.13922 -6.90063 -14.3842 -7.61228 -7.14118 -6.89794 -6.76538 -6.68776 -6.49629 -6.48016 -6.39297 -6.37327  2.09423 0.937986  2.18240 -1.66508 -0.888165 -0.336239 0.0302420 0.247761 0.351704 0.475477 0.541658 0.603050 0.464902 0.472807  1.17482 -2.67707 -1.15606
iter: 1  value: -566.1008 mgc: 7.079768 ustep: 1 
iter: 2  value: -566.1097 mgc: 4.509488 ustep: 1 
iter: 3  value: -566.1097 mgc: 0.0003609019 ustep: 1 
iter: 4  value: -566.1097 mgc: 3.434087e-06 ustep: 1 
mgc: 8.020606e-11 
iter: 1  mgc: 8.020606e-11 
outer mgc:  28.93693 
 45:     823.09439: -9.43809 -8.06852 -7.51490 -7.32799 -7.13822 -6.89710 -14.3865 -7.60823 -7.13907 -6.89652 -6.76334 -6.68665 -6.49725 -6.48282 -6.39819 -6.38596  2.07274 0.940710  2.24220 -1.63041 -0.851708 -0.345485 0.0233143 0.239663 0.336808 0.450896 0.550126 0.610266 0.468897 0.470286  1.16912 -2.61112 -1.15318
iter: 1  value: -551.1572 mgc: 5.681228 ustep: 1 
iter: 2  value: -551.1753 mgc: 12.85785 ustep: 1 
iter: 3  value: -551.1753 mgc: 0.002654507 ustep: 1 
iter: 4  value: -551.1753 mgc: 0.0004282263 ustep: 1 
iter: 5  mgc: 7.019985e-11 
iter: 1  mgc: 7.019985e-11 
outer mgc:  17.92796 
 46:     822.01642: -9.44863 -8.06826 -7.51386 -7.32726 -7.13990 -6.89926 -14.3970 -7.60422 -7.13654 -6.89531 -6.76290 -6.68758 -6.50097 -6.48856 -6.40504 -6.39764  2.05330 0.933976  2.30487 -1.60801 -0.861574 -0.337375 0.0367983 0.233555 0.329981 0.441052 0.534040 0.586630 0.474128 0.495470  1.16270 -2.53993 -1.14989
iter: 1  value: -534.4273 mgc: 4.137318 ustep: 1 
iter: 2  value: -534.4864 mgc: 13.32845 ustep: 0.8994163 
iter: 3  value: -534.4864 mgc: 0.005374591 ustep: 0.9483808 
iter: 4  value: -534.4864 mgc: 0.001739707 ustep: 0.973851 
iter: 5  value: -534.4864 mgc: 2.171606e-05 ustep: 0.9868402 
iter: 6  value: -534.4864 mgc: 4.040394e-07 ustep: 0.993399 
iter: 7  value: -534.4864 mgc: 2.060645e-08 ustep: 0.9966944 
iter: 8  mgc: 5.360492e-10 
iter: 1  mgc: 5.360492e-10 
outer mgc:  27.28971 
 47:     821.23102: -9.45832 -8.07134 -7.51615 -7.32943 -7.14301 -6.90480 -14.4107 -7.60554 -7.13890 -6.89808 -6.76624 -6.69078 -6.50460 -6.49356 -6.41072 -6.40338  2.03540 0.930026  2.36701 -1.58237 -0.855564 -0.308316 0.0505488 0.235949 0.332140 0.438011 0.525423 0.564315 0.478869 0.492335  1.15765 -2.46644 -1.14702
iter: 1  value: -517.7205 mgc: 3.727281 ustep: 1 
iter: 2  value: -517.7269 mgc: 4.105973 ustep: 1 
iter: 3  value: -517.7269 mgc: 0.0003570959 ustep: 1 
iter: 4  value: -517.7269 mgc: 3.982191e-06 ustep: 1 
mgc: 9.370993e-11 
iter: 1  value: -497.411 mgc: 2.014903 ustep: 1 
iter: 2  value: -497.4149 mgc: 4.408635 ustep: 1 
iter: 3  value: -497.4149 mgc: 0.0001198113 ustep: 1 
iter: 4  value: -497.4149 mgc: 1.423219e-07 ustep: 1 
mgc: 1.046896e-10 
iter: 1  mgc: 1.046896e-10 
outer mgc:  13.76029 
 48:     819.27451: -9.45687 -8.07067 -7.51605 -7.32901 -7.14249 -6.92116 -14.4044 -7.60851 -7.14381 -6.90219 -6.77237 -6.69425 -6.50554 -6.49643 -6.41634 -6.40948  1.99650 0.919771  2.49632 -1.54832 -0.798245 -0.309531 0.0378848 0.229172 0.318215 0.446442 0.480580 0.566572 0.487986 0.520692  1.14933 -2.29550 -1.14309
iter: 1  value: -463.7045 mgc: 9.747651 ustep: 1 
iter: 2  value: -468.3691 mgc: 155.7772 ustep: 1 
iter: 3  value: -468.3769 mgc: 2.235836 ustep: 1 
iter: 4  value: -468.377 mgc: 1.250247 ustep: 1 
iter: 5  value: -468.377 mgc: 0.007832478 ustep: 1 
iter: 6  value: -468.377 mgc: 6.697685e-05 ustep: 1 
iter: 7  mgc: 2.455918e-10 
iter: 1  value: -496.9129 mgc: 3.003093 ustep: 1 
iter: 2  value: -496.9287 mgc: 8.513357 ustep: 1 
iter: 3  value: -496.9287 mgc: 0.0003873812 ustep: 1 
iter: 4  value: -496.9287 mgc: 2.040076e-06 ustep: 1 
mgc: 8.439649e-11 
iter: 1  mgc: 8.439649e-11 
outer mgc:  35.58347 
 49:     818.98360: -9.45958 -8.06974 -7.51486 -7.32801 -7.14262 -6.92193 -14.4073 -7.60701 -7.14124 -6.90015 -6.77113 -6.69428 -6.50619 -6.49743 -6.41845 -6.41248  1.99043 0.912321  2.50334 -1.54282 -0.808528 -0.310432 0.0386656 0.231702 0.328157 0.421055 0.497140 0.556042 0.488388 0.537567  1.14986 -2.28327 -1.13878
iter: 1  value: -489.8952 mgc: 4.565454 ustep: 1 
iter: 2  value: -489.903 mgc: 4.32005 ustep: 1 
iter: 3  value: -489.903 mgc: 0.0009182745 ustep: 1 
iter: 4  value: -489.903 mgc: 1.174935e-05 ustep: 1 
mgc: 9.273027e-11 
iter: 1  mgc: 9.273027e-11 
outer mgc:  24.95992 
 50:     818.46288: -9.46187 -8.06981 -7.51495 -7.32808 -7.14302 -6.92160 -14.4095 -7.60720 -7.14078 -6.90001 -6.77134 -6.69497 -6.50721 -6.49871 -6.42021 -6.41481  1.98416 0.913685  2.52324 -1.52819 -0.800507 -0.304707 0.0404324 0.231721 0.326553 0.420102 0.493774 0.551656 0.489993 0.520777  1.14925 -2.25461 -1.13751
iter: 1  value: -482.9607 mgc: 1.756055 ustep: 1 
iter: 2  value: -482.961 mgc: 1.813758 ustep: 1 
iter: 3  value: -482.961 mgc: 9.89589e-05 ustep: 1 
iter: 4  value: -482.961 mgc: 3.66691e-07 ustep: 1 
mgc: 8.14353e-11 
iter: 1  value: -473.5536 mgc: 0.9237563 ustep: 1 
iter: 2  value: -473.5536 mgc: 0.3841181 ustep: 1 
iter: 3  value: -473.5536 mgc: 4.635004e-06 ustep: 1 
iter: 4  mgc: 8.70132e-10 
iter: 1  value: -426.4217 mgc: 3.906921 ustep: 1 
iter: 2  value: -426.4414 mgc: 11.09019 ustep: 1 
iter: 3  value: -426.4414 mgc: 0.003046764 ustep: 1 
iter: 4  value: -426.4414 mgc: 0.0005305339 ustep: 1 
iter: 5  mgc: 7.872636e-11 
iter: 1  value: -239.0668 mgc: 8.079309 ustep: 1 
iter: 2  value: -257.5285 mgc: 337.1781 ustep: 0.01776843 
iter: 3  value: -257.5692 mgc: 11.10586 ustep: 0.133385 
iter: 4  value: -257.5867 mgc: 1.234759 ustep: 0.3652825 
iter: 5  value: -257.5903 mgc: 0.8965688 ustep: 0.6044256 
iter: 6  value: -257.5909 mgc: 0.2243545 ustep: 0.7774704 
iter: 7  value: -257.591 mgc: 0.04241243 ustep: 0.8817547 
iter: 8  value: -257.5911 mgc: 0.00476915 ustep: 0.939024 
iter: 9  value: -257.5911 mgc: 0.0004569984 ustep: 0.9690356 
iter: 10  value: -257.5911 mgc: 6.741535e-05 ustep: 0.9843976 
iter: 11  value: -257.5911 mgc: 6.1969e-06 ustep: 0.9921689 
iter: 12  value: -257.5911 mgc: 2.974903e-07 ustep: 0.9960772 
iter: 13  mgc: 7.307631e-09 
iter: 1  mgc: 7.872636e-11 
outer mgc:  24.92309 
 51:     814.82293: -9.47976 -8.07089 -7.51721 -7.32978 -7.14619 -6.92003 -14.4246 -7.60952 -7.13865 -6.90033 -6.77406 -6.70130 -6.51660 -6.51072 -6.43639 -6.44257  1.92882 0.910766  2.73268 -1.44682 -0.771162 -0.291258 0.0347393 0.222721 0.307260 0.412702 0.458161 0.514026 0.506791 0.562872  1.13858 -1.96136 -1.13800
iter: 1  value: -316.1489 mgc: 6.887977 ustep: 1 
iter: 2  value: -319.5255 mgc: 121.6859 ustep: 0.0692153 
iter: 3  value: -319.5437 mgc: 15.61068 ustep: 0.2631617 
iter: 4  value: -319.5473 mgc: 2.524491 ustep: 0.5130416 
iter: 5  value: -319.5476 mgc: 1.922445 ustep: 0.7162976 
iter: 6  value: -319.5477 mgc: 0.09461974 ustep: 0.846359 
iter: 7  value: -319.5477 mgc: 0.00158329 ustep: 0.9199857 
iter: 8  value: -319.5477 mgc: 0.000189068 ustep: 0.959163 
iter: 9  value: -319.5477 mgc: 3.875721e-05 ustep: 0.9793707 
iter: 10  value: -319.5477 mgc: 4.38269e-06 ustep: 0.9896326 
iter: 11  value: -319.5477 mgc: 2.613428e-07 ustep: 0.9948033 
iter: 12  mgc: 8.010488e-09 
iter: 1  value: -113.7869 mgc: 6.03794 ustep: 0.8994163 
iter: 2  value: -155.5233 mgc: 695.4552 ustep: 0.005765638 
iter: 3  value: -155.6153 mgc: 7.510801 ustep: 0.07602421 
iter: 4  value: -155.6658 mgc: 1.087589 ustep: 0.2757973 
iter: 5  value: -155.6899 mgc: 2.518805 ustep: 0.5252116 
iter: 6  value: -155.7023 mgc: 0.446623 ustep: 0.7247423 
iter: 7  value: -155.7099 mgc: 1.059851 ustep: 0.8513329 
iter: 8  value: -155.7129 mgc: 1.62128 ustep: 0.9226847 
iter: 9  value: -155.7138 mgc: 1.650622 ustep: 0.9605687 
iter: 10  value: -155.714 mgc: 1.334766 ustep: 0.9800881 
iter: 11  value: -155.7141 mgc: 0.8322162 ustep: 0.989995 
iter: 12  value: -155.7141 mgc: 0.3964209 ustep: 0.9949854 
iter: 13  value: -155.7141 mgc: 0.1067009 ustep: 0.9974898 
iter: 14  value: -155.7141 mgc: 0.009775956 ustep: 0.9987442 
iter: 15  value: -155.7141 mgc: 0.0001046252 ustep: 0.999372 
iter: 16  value: -155.7141 mgc: 5.899193e-08 ustep: 0.999686 
iter: 17  mgc: 8.212986e-11 
iter: 1  mgc: 8.010488e-09 
outer mgc:  66.68829 
 52:     808.34284: -9.50152 -8.07367 -7.52403 -7.33233 -7.14742 -6.96337 -14.4384 -7.61391 -7.14281 -6.90602 -6.77806 -6.70616 -6.52524 -6.52468 -6.45476 -6.46941  1.80592 0.880525  3.15223 -1.35792 -0.691518 -0.241831 0.0441076 0.212376 0.269835 0.382822 0.394917 0.451346 0.539949 0.637882  1.12027 -1.36060 -1.11970
iter: 1  value: -331.8028 mgc: 8.306005 ustep: 1 
iter: 2  value: -341.0892 mgc: 279.1945 ustep: 0.008923143 
iter: 3  value: -341.1012 mgc: 1.306805 ustep: 0.09455295 
iter: 4  value: -341.1037 mgc: 0.1307381 ustep: 0.3075639 
iter: 5  value: -341.1041 mgc: 0.06667082 ustep: 0.554629 
iter: 6  value: -341.1042 mgc: 0.00880596 ustep: 0.7447597 
iter: 7  value: -341.1043 mgc: 0.01613333 ustep: 0.8630083 
iter: 8  value: -341.1043 mgc: 0.01667056 ustep: 0.9289895 
iter: 9  value: -341.1043 mgc: 0.007775901 ustep: 0.9638446 
iter: 10  value: -341.1043 mgc: 0.001381427 ustep: 0.9817577 
iter: 11  value: -341.1043 mgc: 7.909136e-05 ustep: 0.9908378 
iter: 12  value: -341.1043 mgc: 1.367097e-06 ustep: 0.9954088 
iter: 13  value: -341.1043 mgc: 1.050618e-08 ustep: 0.997702 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 1.728734e-10 
iter: 1  value: -371.6979 mgc: 5.831537 ustep: 1 
iter: 2  value: -372.066 mgc: 91.11562 ustep: 0.1336527 
iter: 3  value: -372.0663 mgc: 0.03339476 ustep: 0.3656489 
iter: 4  value: -372.0664 mgc: 0.01951165 ustep: 0.6047286 
iter: 5  value: -372.0664 mgc: 0.003483359 ustep: 0.7776652 
iter: 6  value: -372.0664 mgc: 0.002017324 ustep: 0.8818651 
iter: 7  value: -372.0664 mgc: 0.001827839 ustep: 0.9390828 
iter: 8  value: -372.0664 mgc: 0.0007402782 ustep: 0.969066 
iter: 9  value: -372.0664 mgc: 0.0001127909 ustep: 0.984413 
iter: 10  value: -372.0664 mgc: 5.640924e-06 ustep: 0.9921767 
iter: 11  value: -372.0664 mgc: 1.004367e-07 ustep: 0.9960811 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 2.069711e-09 
iter: 1  value: -349.6212 mgc: 2.231534 ustep: 1 
iter: 2  value: -349.6306 mgc: 16.93153 ustep: 1 
iter: 3  value: -349.6306 mgc: 0.001911669 ustep: 1 
iter: 4  value: -349.6306 mgc: 0.0004254666 ustep: 1 
iter: 5  mgc: 7.981882e-11 
iter: 1  mgc: 7.981882e-11 
outer mgc:  14.9666 
 53:     805.77614: -9.50259 -8.07343 -7.52338 -7.33155 -7.14735 -6.95864 -14.4397 -7.61287 -7.14200 -6.90554 -6.77819 -6.70631 -6.52518 -6.52472 -6.45519 -6.46960  1.80859 0.798093  3.15846 -1.35357 -0.685111 -0.235484 0.0497187 0.213454 0.276628 0.371773 0.401166 0.457199 0.533844 0.632883  1.11464 -1.36572 -1.11727
iter: 1  value: -337.6703 mgc: 0.8144208 ustep: 1 
iter: 2  value: -337.6753 mgc: 6.7679 ustep: 1 
iter: 3  value: -337.6753 mgc: 0.00207646 ustep: 1 
iter: 4  value: -337.6753 mgc: 0.0001017908 ustep: 1 
iter: 5  mgc: 9.307799e-11 
iter: 1  mgc: 9.307799e-11 
outer mgc:  28.23274 
 54:     805.35143: -9.50842 -8.07877 -7.52662 -7.33227 -7.14900 -6.94000 -14.4533 -7.61441 -7.14257 -6.90675 -6.78200 -6.70874 -6.52520 -6.52496 -6.45470 -6.46763  1.80104 0.818138  3.21683 -1.34444 -0.680520 -0.231097 0.0542794 0.211587 0.279668 0.361240 0.405924 0.462524 0.532576 0.663999  1.10841 -1.32844 -1.10513
iter: 1  value: -337.3677 mgc: 0.9296902 ustep: 1 
iter: 2  value: -337.3725 mgc: 9.819552 ustep: 1 
iter: 3  value: -337.3725 mgc: 0.0001553047 ustep: 1 
iter: 4  value: -337.3725 mgc: 9.88225e-05 ustep: 1 
mgc: 8.449463e-11 
iter: 1  mgc: 8.449463e-11 
outer mgc:  10.96306 
 55:     804.62511: -9.51340 -8.08323 -7.52922 -7.33241 -7.14955 -6.92557 -14.4647 -7.61577 -7.14381 -6.90815 -6.78458 -6.70967 -6.52385 -6.52357 -6.45219 -6.46229  1.78830 0.802761  3.28416 -1.32386 -0.671738 -0.228214 0.0543655 0.207321 0.275247 0.355976 0.400482 0.456110 0.535962 0.649153  1.10531 -1.29571 -1.09887
iter: 1  value: -338.4313 mgc: 0.4594755 ustep: 1 
iter: 2  value: -338.4316 mgc: 0.9180276 ustep: 1 
iter: 3  value: -338.4316 mgc: 0.0001079178 ustep: 1 
iter: 4  value: -338.4316 mgc: 4.091603e-07 ustep: 1 
mgc: 7.837442e-11 
iter: 1  value: -338.4534 mgc: 0.1508076 ustep: 1 
iter: 2  value: -338.4534 mgc: 0.508961 ustep: 1 
iter: 3  value: -338.4534 mgc: 3.725666e-05 ustep: 1 
iter: 4  value: -338.4534 mgc: 3.214162e-08 ustep: 1 
mgc: 7.527023e-11 
iter: 1  value: -338.2615 mgc: 0.4632002 ustep: 1 
iter: 2  value: -338.2646 mgc: 4.562577 ustep: 1 
iter: 3  value: -338.2646 mgc: 0.002571093 ustep: 1 
iter: 4  value: -338.2646 mgc: 0.0001319023 ustep: 1 
iter: 5  mgc: 8.128875e-11 
iter: 1  mgc: 8.128875e-11 
outer mgc:  5.457627 
 56:     802.65139: -9.50390 -8.04125 -7.48169 -7.28423 -7.11382 -6.91374 -14.4167 -7.56307 -7.10543 -6.87346 -6.74282 -6.66990 -6.48683 -6.48656 -6.41786 -6.40419  1.71886 0.790555  3.68850 -1.28707 -0.626754 -0.200166 0.0592384 0.192942 0.254568 0.331216 0.379169 0.424610 0.567453 0.690504  1.08572 -1.25434 -1.14589
iter: 1  value: -333.6921 mgc: 0.6039756 ustep: 1 
iter: 2  value: -333.6928 mgc: 3.12973 ustep: 1 
iter: 3  value: -333.6928 mgc: 0.0002413617 ustep: 1 
iter: 4  value: -333.6928 mgc: 2.692113e-06 ustep: 1 
mgc: 9.973711e-11 
iter: 1  mgc: 9.973711e-11 
outer mgc:  10.36306 
 57:     800.53667: -9.52719 -8.06514 -7.50717 -7.30583 -7.11982 -6.91294 -14.4921 -7.59513 -7.12814 -6.88873 -6.75835 -6.67695 -6.48720 -6.47921 -6.39909 -6.39427  1.66847 0.790899  4.11733 -1.23519 -0.587154 -0.189652 0.0515229 0.190038 0.254721 0.309797 0.360888 0.401238 0.557088 0.712692  1.04663 -1.21356 -1.10072
iter: 1  value: -336.3678 mgc: 0.4265138 ustep: 1 
iter: 2  value: -336.3693 mgc: 5.061802 ustep: 1 
iter: 3  value: -336.3693 mgc: 0.0003745634 ustep: 1 
iter: 4  value: -336.3693 mgc: 9.453491e-06 ustep: 1 
mgc: 9.960233e-11 
iter: 1  value: -331.3445 mgc: 0.9769261 ustep: 1 
iter: 2  value: -331.353 mgc: 6.599178 ustep: 1 
iter: 3  value: -331.353 mgc: 0.003767276 ustep: 1 
iter: 4  value: -331.353 mgc: 0.0001282026 ustep: 1 
iter: 5  mgc: 9.181456e-11 
iter: 1  value: -314.3874 mgc: 2.212972 ustep: 1 
iter: 2  value: -314.9161 mgc: 55.96717 ustep: 0.8994163 
iter: 3  value: -314.9192 mgc: 2.452211 ustep: 0.9483808 
iter: 4  value: -314.9193 mgc: 1.796008 ustep: 0.973851 
iter: 5  value: -314.9193 mgc: 0.02794741 ustep: 0.9868402 
iter: 6  value: -314.9193 mgc: 0.000275869 ustep: 0.993399 
iter: 7  value: -314.9193 mgc: 1.718756e-07 ustep: 0.9966944 
iter: 8  mgc: 2.634938e-09 
iter: 1  mgc: 2.634938e-09 
outer mgc:  35.9949 
 58:     789.17674: -9.49080 -8.05904 -7.58471 -7.39760 -7.13431 -6.88286 -14.4748 -7.66015 -7.08180 -6.87741 -6.86132 -6.79153 -6.60109 -6.59327 -6.46927 -6.68442  1.17536 0.756413  7.67963 -0.999908 -0.533752 -0.205515 0.0838247 0.193201 0.180645 0.268136 0.324078 0.461235 0.450999 0.807883  1.15361 -0.915982 -1.02859
iter: 1  value: -322.2115 mgc: 1.812301 ustep: 1 
iter: 2  value: -325.0673 mgc: 144.1879 ustep: 0.03522464 
iter: 3  value: -325.0721 mgc: 0.2762769 ustep: 0.1877635 
iter: 4  value: -325.0749 mgc: 0.3035696 ustep: 0.4333735 
iter: 5  value: -325.0755 mgc: 0.3348731 ustep: 0.6583453 
iter: 6  value: -325.0756 mgc: 0.08290808 ustep: 0.8114037 
iter: 7  value: -325.0756 mgc: 0.007248615 ustep: 0.9007894 
iter: 8  value: -325.0756 mgc: 0.001633017 ustep: 0.9491043 
iter: 9  value: -325.0756 mgc: 0.0006792317 ustep: 0.9742224 
iter: 10  value: -325.0756 mgc: 0.0001097677 ustep: 0.9870284 
iter: 11  value: -325.0756 mgc: 5.898752e-06 ustep: 0.9934937 
iter: 12  value: -325.0756 mgc: 1.114663e-07 ustep: 0.9967418 
iter: 13  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 2.214781e-09 
iter: 1  mgc: 2.214781e-09 
outer mgc:  26.47409 
 59:     783.80345: -9.47193 -8.07975 -7.60531 -7.42543 -7.18618 -7.02885 -14.4583 -7.66290 -7.15750 -6.94816 -6.87175 -6.82400 -6.66212 -6.69449 -6.60442 -6.79732 0.668952 0.803373  11.2649 -0.905406 -0.408500 -0.159609 0.0870759 0.202630 0.165800 0.192425 0.281424 0.424456 0.345919 0.831114  1.30268 -1.07049 -0.964280
iter: 1  value: 1099.656 mgc: 74.05517 ustep: 0.1336527 
iter: 2  value: -209.3631 mgc: 3042.304 ustep: 0.001774899 
iter: 3  value: -246.3438 mgc: 73.44486 ustep: 0.04222534 
iter: 4  value: -258.7404 mgc: 19.86851 ustep: 0.2055675 
iter: 5  value: -260.9815 mgc: 67.90813 ustep: 0.07271231 
iter: 6  value: -262.7362 mgc: 14.77287 ustep: 0.2697252 
iter: 7  value: -263.5688 mgc: 70.14028 ustep: 0.08749252 
iter: 8  value: -264.2167 mgc: 3.463776 ustep: 0.2958618 
iter: 9  value: -264.7683 mgc: 21.48531 ustep: 0.5439774 
iter: 10  value: -264.8916 mgc: 8.828852 ustep: 0.2842037 
iter: 11  value: -265.0609 mgc: 4.687979 ustep: 0.5331543 
iter: 12  value: -265.1136 mgc: 14.76375 ustep: 0.2792296 
iter: 13  value: -265.1987 mgc: 1.230206 ustep: 0.528469 
iter: 14  value: -265.2814 mgc: 30.21091 ustep: 0.4774448 
iter: 15  value: -265.3246 mgc: 0.927419 ustep: 0.4440822 
iter: 16  value: -265.4187 mgc: 21.17887 ustep: 0.6664283 
iter: 17  value: -265.4498 mgc: 2.57197 ustep: 0.5714209 
iter: 18  value: -265.5349 mgc: 29.80751 ustep: 0.7559483 
iter: 19  value: -265.5481 mgc: 3.519043 ustep: 0.3988288 
iter: 20  value: -265.5751 mgc: 10.93529 ustep: 0.6315658 
iter: 21  value: -265.5915 mgc: 0.9108093 ustep: 0.7947317 
iter: 22  value: -265.6395 mgc: 30.73592 ustep: 0.8914881 
iter: 23  value: -265.6415 mgc: 1.272022 ustep: 0.5138278 
iter: 24  value: -265.6494 mgc: 11.98463 ustep: 0.7168461 
iter: 25  value: -265.6516 mgc: 0.3621213 ustep: 0.608382 
iter: 26  value: -265.6565 mgc: 8.208478 ustep: 0.7800105 
iter: 27  value: -265.658 mgc: 0.3321542 ustep: 0.6581648 
iter: 28  value: -265.6606 mgc: 5.250429 ustep: 0.8112924 
iter: 29  value: -265.6614 mgc: 0.3607755 ustep: 0.9007277 
iter: 30  value: -265.6638 mgc: 8.480512 ustep: 0.9490718 
iter: 31  value: -265.6639 mgc: 0.1798832 ustep: 0.8393102 
iter: 32  value: -265.6643 mgc: 3.217567 ustep: 0.9161471 
iter: 33  value: -265.6643 mgc: 0.07117652 ustep: 0.95716 
iter: 34  value: -265.6644 mgc: 1.225913 ustep: 0.9783477 
iter: 35  value: -265.6644 mgc: 0.02379708 ustep: 0.9891157 
iter: 36  value: -265.6644 mgc: 0.07236061 ustep: 0.9945435 
iter: 37  value: -265.6644 mgc: 0.0006032203 ustep: 0.9972683 
iter: 38  value: -265.6644 mgc: 1.256235e-05 ustep: 0.9986334 
iter: 39  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 8.299355e-09 
iter: 1  value: -383.342 mgc: 4.050704 ustep: 1 
iter: 2  value: -384.8119 mgc: 157.243 ustep: 0.1336527 
iter: 3  value: -384.8125 mgc: 0.1881822 ustep: 0.3656489 
iter: 4  value: -384.8126 mgc: 0.06869321 ustep: 0.6047286 
iter: 5  value: -384.8126 mgc: 0.02314479 ustep: 0.7776652 
iter: 6  value: -384.8126 mgc: 0.001558834 ustep: 0.8818651 
iter: 7  value: -384.8126 mgc: 0.0007426334 ustep: 0.9390828 
iter: 8  value: -384.8126 mgc: 0.000301351 ustep: 0.969066 
iter: 9  value: -384.8126 mgc: 5.090536e-05 ustep: 0.984413 
iter: 10  value: -384.8126 mgc: 3.07076e-06 ustep: 0.9921767 
iter: 11  value: -384.8126 mgc: 6.718138e-08 ustep: 0.9960811 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 2.136402e-09 
iter: 1  mgc: 2.136402e-09 
outer mgc:  123.5125 
 60:     779.40489: -9.51726 -8.10027 -7.56516 -7.37244 -7.19069 -7.09506 -14.4889 -7.65542 -7.18343 -6.95024 -6.84290 -6.77644 -6.60377 -6.63124 -6.58431 -6.63679 0.682258 0.761645  10.8223 -1.10507 -0.496624 -0.117685 0.0338906 0.159437 0.256251 0.259232 0.295982 0.271322 0.436299 0.907812  1.35418 -1.31051 -0.988375
iter: 1  value: -369.086 mgc: 9.922498 ustep: 1 
iter: 2  value: -372.1636 mgc: 148.5035 ustep: 0.03522464 
iter: 3  value: -372.1648 mgc: 0.4206079 ustep: 0.1877635 
iter: 4  value: -372.1651 mgc: 0.01040649 ustep: 0.4333735 
iter: 5  value: -372.1652 mgc: 0.008572095 ustep: 0.6583453 
iter: 6  value: -372.1652 mgc: 0.008121199 ustep: 0.8114037 
iter: 7  value: -372.1652 mgc: 0.003538574 ustep: 0.9007894 
iter: 8  value: -372.1652 mgc: 0.0008044155 ustep: 0.9491043 
iter: 9  value: -372.1652 mgc: 0.0001090566 ustep: 0.9742224 
iter: 10  value: -372.1652 mgc: 1.398459e-05 ustep: 0.9870284 
iter: 11  value: -372.1652 mgc: 9.354311e-07 ustep: 0.9934937 
iter: 12  value: -372.1652 mgc: 2.925733e-08 ustep: 0.9967418 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 8.255488e-10 
iter: 1  mgc: 8.255488e-10 
outer mgc:  169.7337 
 61:     779.05817: -9.50742 -8.06767 -7.48700 -7.29868 -7.17474 -7.07639 -14.3954 -7.57514 -7.16961 -6.92918 -6.75166 -6.69953 -6.55254 -6.58848 -6.57777 -6.53368 0.691612 0.866537  10.3169 -1.03885 -0.532365 -0.124160 0.0479138 0.155405 0.263850 0.233351 0.293354 0.323653 0.399630 0.675477  1.36958 -1.46121 -0.995154
iter: 1  value: -364.3099 mgc: 2.979867 ustep: 1 
iter: 2  value: -382.5324 mgc: 301.3196 ustep: 0.01776843 
iter: 3  value: -382.5442 mgc: 1.993364 ustep: 0.133385 
iter: 4  value: -382.5504 mgc: 0.1252297 ustep: 0.3652825 
iter: 5  value: -382.5519 mgc: 0.3698713 ustep: 0.6044256 
iter: 6  value: -382.5521 mgc: 0.1446133 ustep: 0.7774704 
iter: 7  value: -382.5522 mgc: 0.01703728 ustep: 0.8817547 
iter: 8  value: -382.5522 mgc: 0.0007476065 ustep: 0.939024 
iter: 9  value: -382.5522 mgc: 0.0001015713 ustep: 0.9690356 
iter: 10  value: -382.5522 mgc: 1.545012e-05 ustep: 0.9843976 
iter: 11  value: -382.5522 mgc: 1.260881e-06 ustep: 0.9921689 
iter: 12  value: -382.5522 mgc: 5.347516e-08 ustep: 0.9960772 
iter: 13  mgc: 1.158126e-09 
iter: 1  mgc: 1.158126e-09 
outer mgc:  39.68767 
 62:     767.73427: -9.53564 -8.06700 -7.43909 -7.24353 -7.16735 -7.00886 -14.3825 -7.51832 -7.20220 -6.94592 -6.67283 -6.62701 -6.49279 -6.53771 -6.55908 -6.41294 0.644945 0.832018  10.2869 -1.03802 -0.615779 -0.194037 0.0521571 0.147696 0.245094 0.279545 0.337968 0.392543 0.341105 0.796511  1.38771 -1.37877 -0.927722
iter: 1  value: -401.2671 mgc: 1.923794 ustep: 1 
iter: 2  value: -401.5731 mgc: 107.0855 ustep: 0.1336527 
iter: 3  value: -401.5731 mgc: 0.01761557 ustep: 0.3656489 
iter: 4  value: -401.5731 mgc: 0.001163671 ustep: 0.6047286 
iter: 5  value: -401.5731 mgc: 0.0008865109 ustep: 0.7776652 
iter: 6  value: -401.5731 mgc: 0.00029712 ustep: 0.8818651 
iter: 7  value: -401.5731 mgc: 4.010681e-05 ustep: 0.9390828 
iter: 8  value: -401.5731 mgc: 9.965302e-06 ustep: 0.969066 
iter: 9  value: -401.5731 mgc: 1.545564e-06 ustep: 0.984413 
iter: 10  value: -401.5731 mgc: 1.389942e-07 ustep: 0.9921767 
iter: 11  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 6.950591e-09 
iter: 1  mgc: 6.950591e-09 
outer mgc:  14.10718 
 63:     763.35584: -9.55627 -8.05840 -7.49900 -7.30166 -7.13374 -6.92208 -14.4185 -7.60510 -7.09488 -6.86274 -6.79606 -6.70703 -6.50461 -6.50175 -6.45736 -6.42028 0.634212 0.809884  10.3269 -1.10108 -0.516074 -0.188983 0.0621740 0.181308 0.237129 0.270774 0.333383 0.351120 0.305093 0.780555  1.42051 -1.42083 -0.979864
iter: 1  value: -384.932 mgc: 1.775248 ustep: 1 
iter: 2  value: -384.9769 mgc: 28.70107 ustep: 1 
iter: 3  value: -384.9769 mgc: 0.001013122 ustep: 1 
iter: 4  value: -384.9769 mgc: 0.000158015 ustep: 1 
iter: 5  mgc: 7.87449e-11 
iter: 1  mgc: 7.87449e-11 
outer mgc:  45.1066 
 64:     761.94576: -9.52291 -8.04699 -7.51692 -7.32335 -7.11433 -6.92862 -14.4375 -7.58657 -7.14866 -6.91833 -6.73357 -6.68465 -6.51461 -6.50733 -6.40396 -6.47046 0.463744 0.816314  10.1855 -1.08378 -0.612024 -0.130572 0.00772593 0.149667 0.224385 0.314412 0.311519 0.418584 0.287458 0.726931  1.40958 -1.33891 -1.01215
iter: 1  value: -391.6049 mgc: 2.275229 ustep: 1 
iter: 2  value: -391.6428 mgc: 28.17817 ustep: 0.4367355 
iter: 3  value: -391.6428 mgc: 0.001266026 ustep: 0.6608936 
iter: 4  value: -391.6428 mgc: 0.0004563433 ustep: 0.8129723 
iter: 5  value: -391.6428 mgc: 0.0001416446 ustep: 0.9016596 
iter: 6  value: -391.6428 mgc: 6.718355e-05 ustep: 0.9495626 
iter: 7  value: -391.6428 mgc: 1.935927e-05 ustep: 0.9744576 
iter: 8  value: -391.6428 mgc: 2.779395e-06 ustep: 0.9871475 
iter: 9  value: -391.6428 mgc: 1.669284e-07 ustep: 0.9935536 
iter: 10  mgc: 9.130303e-09 
iter: 1  mgc: 9.130303e-09 
outer mgc:  63.59093 
 65:     758.40790: -9.46870 -8.04329 -7.51201 -7.32157 -7.12401 -6.94481 -14.4185 -7.56156 -7.18863 -6.94156 -6.72770 -6.67009 -6.52925 -6.55420 -6.45261 -6.49102 0.387020 0.819660  9.91662 -1.13949 -0.616444 -0.175632 0.0214219 0.171686 0.250173 0.299785 0.323540 0.408393 0.327923 0.784316  1.39397 -1.35271 -1.03959
iter: 1  value: -391.6367 mgc: 1.839159 ustep: 1 
iter: 2  value: -391.8233 mgc: 81.14934 ustep: 1 
iter: 3  value: -391.8233 mgc: 0.005883456 ustep: 1 
iter: 4  value: -391.8233 mgc: 0.001352549 ustep: 1 
iter: 5  mgc: 3.878281e-09 
iter: 1  mgc: 3.878281e-09 
outer mgc:  25.19551 
 66:     754.93713: -9.45970 -8.08072 -7.46991 -7.27038 -7.17527 -6.98965 -14.3834 -7.57536 -7.18196 -6.93124 -6.75163 -6.67942 -6.50237 -6.54327 -6.56538 -6.43205 0.290320 0.805115  9.69221 -1.14760 -0.610531 -0.221898 0.0375454 0.162543 0.243602 0.310333 0.359692 0.396969 0.345687 0.712616  1.38209 -1.31982 -0.988384
iter: 1  value: -407.7187 mgc: 1.647112 ustep: 1 
iter: 2  value: -407.7549 mgc: 30.65213 ustep: 1 
iter: 3  value: -407.7549 mgc: 0.00196387 ustep: 1 
iter: 4  value: -407.7549 mgc: 0.0003303378 ustep: 1 
iter: 5  mgc: 8.380141e-11 
iter: 1  mgc: 8.380141e-11 
outer mgc:  13.54931 
 67:     753.57538: -9.48630 -8.07524 -7.48732 -7.29441 -7.15045 -7.00383 -14.3357 -7.57214 -7.09694 -6.88157 -6.68054 -6.66603 -6.51697 -6.48606 -6.45064 -6.44181 0.257133 0.811853  9.45932 -1.16791 -0.620078 -0.204061 0.0686853 0.162350 0.242177 0.297517 0.357215 0.422770 0.331966 0.727191  1.37539 -1.41076 -0.980545
iter: 1  value: -401.6644 mgc: 1.661453 ustep: 1 
iter: 2  value: -401.842 mgc: 75.02285 ustep: 0.0692153 
iter: 3  value: -401.842 mgc: 0.02392325 ustep: 0.2631617 
iter: 4  value: -401.842 mgc: 0.001579428 ustep: 0.5130416 
iter: 5  value: -401.8421 mgc: 0.001502999 ustep: 0.7162976 
iter: 6  value: -401.8421 mgc: 0.001295332 ustep: 0.846359 
iter: 7  value: -401.8421 mgc: 0.0006672999 ustep: 0.9199857 
iter: 8  value: -401.8421 mgc: 0.0002301516 ustep: 0.959163 
iter: 9  value: -401.8421 mgc: 5.063878e-05 ustep: 0.9793707 
iter: 10  value: -401.8421 mgc: 5.330871e-06 ustep: 0.9896326 
iter: 11  value: -401.8421 mgc: 2.128918e-07 ustep: 0.9948033 
Not improving much - will try early exit...PD hess?: TRUE 
mgc: 7.227931e-09 
iter: 1  mgc: 7.227931e-09 
outer mgc:  26.50518 
 68:     752.33220: -9.55200 -8.02698 -7.48553 -7.29704 -7.09480 -6.87343 -14.3520 -7.51531 -7.19392 -6.91626 -6.75370 -6.63128 -6.47862 -6.50067 -6.36339 -6.41449 0.152988 0.832399  9.30530 -1.18869 -0.573583 -0.171111 0.0517471 0.207026 0.260785 0.310292 0.346509 0.385873 0.319826 0.713315  1.39221 -1.40735 -1.02697
iter: 1  value: -393.2697 mgc: 1.903735 ustep: 1 
iter: 2  value: -394.3294 mgc: 116.9608 ustep: 0.0692153 
iter: 3  value: -394.3304 mgc: 0.4736822 ustep: 0.2631617 
iter: 4  value: -394.3306 mgc: 0.09977348 ustep: 0.5130416 
iter: 5  value: -394.3306 mgc: 0.04692087 ustep: 0.7162976 
iter: 6  value: -394.3306 mgc: 0.005491769 ustep: 0.846359 
iter: 7  value: -394.3306 mgc: 0.0002726032 ustep: 0.9199857 
iter: 8  value: -394.3306 mgc: 8.716894e-05 ustep: 0.959163 
iter: 9  value: -394.3306 mgc: 1.607709e-05 ustep: 0.9793707 
iter: 10  value: -394.3306 mgc: 1.615238e-06 ustep: 0.9896326 
iter: 11  value: -394.3306 mgc: 8.504494e-08 ustep: 0.9948033 
iter: 12  Not improving much - will try early exit...PD hess?: TRUE 
mgc: 2.296161e-09 
iter: 1  value: -410.5128 mgc: 2.016556 ustep: 1 
iter: 2  value: -410.8 mgc: 63.91876 ustep: 1 
iter: 3  value: -410.8001 mgc: 0.1771727 ustep: 1 
iter: 4  value: -410.8001 mgc: 0.05570506 ustep: 1 
iter: 5  value: -410.8001 mgc: 2.154221e-06 ustep: 1 
iter: 6  mgc: 7.819212e-11 
iter: 1  value: -410.9601 mgc: 1.22157 ustep: 1 
iter: 2  value: -410.9854 mgc: 18.94415 ustep: 1 
iter: 3  value: -410.9854 mgc: 0.001356207 ustep: 1 
iter: 4  value: -410.9854 mgc: 0.000168002 ustep: 1 
iter: 5  mgc: 8.109957e-11 
iter: 1  mgc: 8.109957e-11 
outer mgc:  39.55281 
 69:     751.77406: -9.55112 -8.02858 -7.48616 -7.29704 -7.09643 -6.87991 -14.3555 -7.52241 -7.18253 -6.91035 -6.75332 -6.63657 -6.47976 -6.49934 -6.36780 -6.41446 0.139779 0.806088  9.30649 -1.19637 -0.587897 -0.186450 0.0506618 0.198264 0.257580 0.309229 0.353733 0.397120 0.317527 0.750431  1.38910 -1.40191 -1.02943
iter: 1  value: -407.1668 mgc: 1.094146 ustep: 1 
iter: 2  value: -407.1709 mgc: 10.58989 ustep: 1 
iter: 3  value: -407.1709 mgc: 0.0001934397 ustep: 1 
iter: 4  value: -407.1709 mgc: 6.574608e-05 ustep: 1 
mgc: 8.219647e-11 
iter: 1  mgc: 8.219647e-11 
outer mgc:  13.3175 
 70:     750.71121: -9.54543 -8.03268 -7.48777 -7.29505 -7.09942 -6.87902 -14.3678 -7.54459 -7.16462 -6.90471 -6.75159 -6.64917 -6.48005 -6.49741 -6.38002 -6.40069 0.119356 0.809603  9.31428 -1.18655 -0.583605 -0.184857 0.0461288 0.194496 0.254488 0.308086 0.351591 0.395176 0.318004 0.720615  1.38657 -1.38571 -1.03158
iter: 1  value: -404.537 mgc: 0.6220408 ustep: 1 
iter: 2  value: -404.5385 mgc: 5.757328 ustep: 1 
iter: 3  value: -404.5385 mgc: 0.0002718309 ustep: 1 
iter: 4  value: -404.5385 mgc: 9.13977e-06 ustep: 1 
mgc: 6.306333e-11 
iter: 1  mgc: 6.306333e-11 
outer mgc:  19.78003 
 71:     750.23286: -9.53935 -8.04180 -7.48988 -7.29337 -7.10691 -6.88208 -14.3852 -7.56550 -7.14838 -6.89704 -6.75353 -6.66083 -6.48052 -6.49067 -6.39503 -6.39294 0.0929330 0.810809  9.32422 -1.19155 -0.589515 -0.188101 0.0431294 0.192614 0.253710 0.311530 0.354656 0.398605 0.321143 0.739735  1.38127 -1.36736 -1.03429
iter: 1  value: -400.7071 mgc: 0.7044807 ustep: 1 
iter: 2  value: -400.7128 mgc: 4.139448 ustep: 1 
iter: 3  value: -400.7128 mgc: 0.003310415 ustep: 1 
iter: 4  value: -400.7128 mgc: 6.095627e-05 ustep: 1 
iter: 5  mgc: 7.510081e-11 
iter: 1  mgc: 7.510081e-11 
outer mgc:  9.157753 
 72:     749.67320: -9.51837 -8.06805 -7.50454 -7.30776 -7.12916 -6.90804 -14.4376 -7.57204 -7.14833 -6.88686 -6.76735 -6.66359 -6.49648 -6.47942 -6.40836 -6.42904 0.0624106 0.804360  9.36596 -1.19214 -0.584786 -0.188641 0.0471472 0.194723 0.246751 0.314328 0.351655 0.394709 0.347372 0.721589  1.35094 -1.33399 -1.03296
iter: 1  value: -400.5961 mgc: 0.4897165 ustep: 1 
iter: 2  value: -400.5966 mgc: 1.999062 ustep: 1 
iter: 3  value: -400.5966 mgc: 3.729239e-05 ustep: 1 
iter: 4  value: -400.5966 mgc: 9.331772e-08 ustep: 1 
mgc: 8.281553e-11 
iter: 1  mgc: 8.281553e-11 
outer mgc:  4.318651 
 73:     749.45593: -9.51574 -8.03855 -7.49584 -7.30362 -7.11415 -6.90930 -14.4273 -7.58625 -7.11506 -6.91663 -6.75769 -6.70907 -6.50073 -6.54339 -6.42855 -6.41647 0.0369932 0.799671  9.35832 -1.20376 -0.594299 -0.192298 0.0500525 0.194342 0.250216 0.306335 0.351101 0.411694 0.366408 0.722029  1.31388 -1.32353 -1.02658
iter: 1  value: -391.5553 mgc: 0.8547169 ustep: 1 
iter: 2  value: -391.5616 mgc: 11.82034 ustep: 1 
iter: 3  value: -391.5616 mgc: 0.0003644338 ustep: 1 
iter: 4  value: -391.5616 mgc: 7.979131e-05 ustep: 1 
mgc: 8.58158e-11 
iter: 1  mgc: 8.58158e-11 
outer mgc:  19.45387 
 74:     749.45221: -9.52898 -8.04837 -7.50031 -7.30397 -7.12436 -6.92024 -14.4285 -7.59817 -7.13006 -6.86617 -6.76866 -6.68295 -6.50666 -6.50812 -6.44067 -6.43775 -0.0225220 0.819983  9.35451 -1.20563 -0.601661 -0.198346 0.0626469 0.177260 0.266003 0.305524 0.390194 0.416849 0.368894 0.714572  1.28887 -1.31037 -1.04299
iter: 1  value: -403.9417 mgc: 1.032862 ustep: 1 
iter: 2  value: -403.9435 mgc: 5.190481 ustep: 1 
iter: 3  value: -403.9435 mgc: 9.326999e-05 ustep: 1 
iter: 4  value: -403.9435 mgc: 1.131433e-05 ustep: 1 
mgc: 1.051816e-10 
iter: 1  mgc: 1.051816e-10 
outer mgc:  15.94945 
 75:     749.18606: -9.53851 -8.05977 -7.50340 -7.30509 -7.13381 -6.91763 -14.4258 -7.60141 -7.12764 -6.87856 -6.75926 -6.68017 -6.50988 -6.49404 -6.45068 -6.44684 -0.0273354 0.785103  9.35724 -1.21301 -0.604700 -0.198578 0.0603118 0.188132 0.260420 0.304147 0.374509 0.417872 0.389166 0.711615  1.27499 -1.31388 -1.05060
iter: 1  value: -396.9491 mgc: 0.5563376 ustep: 1 
iter: 2  value: -396.9492 mgc: 1.629029 ustep: 1 
iter: 3  value: -396.9492 mgc: 8.244468e-06 ustep: 1 
iter: 4  value: -396.9492 mgc: 5.882889e-08 ustep: 1 
mgc: 7.729462e-11 
iter: 1  mgc: 7.729462e-11 
outer mgc:  4.554689 
 76:     749.02904: -9.55018 -8.08104 -7.50491 -7.30655 -7.14482 -6.92252 -14.4393 -7.58190 -7.11959 -6.89938 -6.77122 -6.69224 -6.50343 -6.48830 -6.44121 -6.44204 -0.0364935 0.804669  9.35511 -1.21641 -0.606653 -0.196220 0.0575710 0.191777 0.256151 0.309269 0.370347 0.414081 0.406537 0.714902  1.26225 -1.30963 -1.05629
iter: 1  value: -397.6555 mgc: 0.2506707 ustep: 1 
iter: 2  value: -397.6556 mgc: 1.065571 ustep: 1 
iter: 3  value: -397.6556 mgc: 6.15368e-06 ustep: 1 
iter: 4  value: -397.6556 mgc: 4.122689e-08 ustep: 1 
mgc: 1.027409e-10 
iter: 1  mgc: 1.027409e-10 
outer mgc:  3.456965 
 77:     748.98616: -9.54424 -8.06577 -7.50283 -7.30690 -7.13363 -6.92168 -14.4468 -7.59788 -7.13561 -6.87302 -6.76377 -6.69209 -6.50813 -6.51772 -6.43575 -6.43074 -0.0385582 0.802287  9.35414 -1.22271 -0.607159 -0.193779 0.0537122 0.194833 0.253637 0.312546 0.365676 0.416200 0.420588 0.708816  1.24611 -1.31003 -1.05364
iter: 1  value: -400.5326 mgc: 0.3216434 ustep: 1 
iter: 2  value: -400.5326 mgc: 0.5312179 ustep: 1 
iter: 3  value: -400.5326 mgc: 5.042809e-06 ustep: 1 
iter: 4  mgc: 9.066499e-09 
iter: 1  value: -400.4695 mgc: 0.3815689 ustep: 1 
iter: 2  value: -400.4697 mgc: 2.262193 ustep: 1 
iter: 3  value: -400.4697 mgc: 1.368395e-05 ustep: 1 
iter: 4  value: -400.4697 mgc: 1.629487e-07 ustep: 1 
mgc: 7.439205e-11 
iter: 1  value: -398.8133 mgc: 0.1585962 ustep: 1 
iter: 2  value: -398.8133 mgc: 0.4298682 ustep: 1 
iter: 3  value: -398.8133 mgc: 5.802406e-07 ustep: 1 
iter: 4  mgc: 7.262355e-10 
iter: 1  mgc: 7.262355e-10 
outer mgc:  4.974934 
 78:     748.96796: -9.54419 -8.06556 -7.50306 -7.30709 -7.13358 -6.92095 -14.4473 -7.59767 -7.13404 -6.87556 -6.76419 -6.69211 -6.50812 -6.51665 -6.43609 -6.43199 -0.0391845 0.799694  9.35437 -1.22462 -0.607505 -0.195383 0.0538978 0.194344 0.255837 0.312534 0.366845 0.417653 0.418470 0.713780  1.24322 -1.31081 -1.05410
iter: 1  value: -398.6297 mgc: 0.1597885 ustep: 1 
iter: 2  value: -398.6297 mgc: 0.2464574 ustep: 1 
iter: 3  value: -398.6297 mgc: 3.213786e-07 ustep: 1 
iter: 4  mgc: 3.087418e-10 
iter: 1  mgc: 3.087418e-10 
outer mgc:  3.478766 
 79:     748.95105: -9.54340 -8.06366 -7.50326 -7.30715 -7.13252 -6.92015 -14.4481 -7.59857 -7.13210 -6.87863 -6.76429 -6.69092 -6.50814 -6.51494 -6.43672 -6.43323 -0.0397925 0.799885  9.35480 -1.22435 -0.606309 -0.195566 0.0539609 0.194029 0.256643 0.312253 0.366999 0.417685 0.419395 0.708027  1.24015 -1.31095 -1.05415
iter: 1  value: -398.645 mgc: 0.1022118 ustep: 1 
iter: 2  value: -398.645 mgc: 0.07856245 ustep: 1 
iter: 3  value: -398.645 mgc: 4.849497e-08 ustep: 1 
iter: 4  mgc: 9.478329e-11 
iter: 1  mgc: 9.478329e-11 
outer mgc:  1.965307 
 80:     748.93737: -9.54241 -8.06094 -7.50345 -7.30720 -7.13108 -6.91965 -14.4488 -7.59975 -7.13055 -6.88108 -6.76382 -6.68965 -6.50824 -6.51311 -6.43780 -6.43489 -0.0403037 0.800289  9.35524 -1.22656 -0.607136 -0.196392 0.0540266 0.194297 0.257437 0.312843 0.367959 0.418630 0.422247 0.710677  1.23590 -1.31130 -1.05409
iter: 1  value: -399.0501 mgc: 0.07397702 ustep: 1 
iter: 2  value: -399.0501 mgc: 0.149091 ustep: 1 
iter: 3  value: -399.0501 mgc: 1.268399e-07 ustep: 1 
iter: 4  mgc: 1.087221e-10 
iter: 1  mgc: 1.087221e-10 
outer mgc:  1.762141 
 81:     748.92246: -9.54056 -8.05830 -7.50385 -7.30746 -7.12987 -6.91938 -14.4492 -7.59672 -7.12895 -6.88295 -6.76434 -6.69173 -6.50800 -6.51038 -6.43915 -6.43767 -0.0410757 0.799368  9.35586 -1.22839 -0.607878 -0.196810 0.0543275 0.194479 0.257804 0.313336 0.369029 0.420115 0.431306 0.707002  1.22418 -1.31243 -1.05364
iter: 1  value: -398.7084 mgc: 0.04840504 ustep: 1 
iter: 2  value: -398.7084 mgc: 0.01146828 ustep: 1 
iter: 3  mgc: 1.906693e-09 
iter: 1  mgc: 1.906693e-09 
outer mgc:  0.947541 
 82:     748.91121: -9.54238 -8.06443 -7.50329 -7.30758 -7.13414 -6.91861 -14.4481 -7.59636 -7.12680 -6.88418 -6.76390 -6.68879 -6.50994 -6.51363 -6.43872 -6.43957 -0.0419525 0.800566  9.35741 -1.23018 -0.609020 -0.197312 0.0548852 0.194782 0.258066 0.313169 0.369688 0.421342 0.439837 0.707871  1.21362 -1.31256 -1.05493
iter: 1  value: -398.4806 mgc: 0.04552581 ustep: 1 
iter: 2  value: -398.4806 mgc: 0.05331252 ustep: 1 
iter: 3  value: -398.4806 mgc: 3.54256e-07 ustep: 1 
iter: 4  mgc: 1.180389e-10 
iter: 1  mgc: 1.180389e-10 
outer mgc:  0.7861758 
 83:     748.89965: -9.54712 -8.06235 -7.50419 -7.30803 -7.13271 -6.92192 -14.4486 -7.59811 -7.12853 -6.88671 -6.76559 -6.69508 -6.50805 -6.50984 -6.43983 -6.44235 -0.0433663 0.801156  9.35810 -1.23108 -0.609465 -0.197473 0.0545119 0.194995 0.258944 0.313557 0.369767 0.420309 0.447781 0.706274  1.20399 -1.31259 -1.05731
iter: 1  value: -399.2657 mgc: 0.09554664 ustep: 1 
iter: 2  value: -399.2657 mgc: 0.04730288 ustep: 1 
iter: 3  value: -399.2657 mgc: 4.735054e-08 ustep: 1 
iter: 4  mgc: 7.224266e-11 
iter: 1  mgc: 7.224266e-11 
outer mgc:  3.255829 
 84:     748.89644: -9.54570 -8.05943 -7.50802 -7.31088 -7.13095 -6.92241 -14.4523 -7.59539 -7.12554 -6.88920 -6.77074 -6.69165 -6.51154 -6.50915 -6.44269 -6.43929 -0.0447330 0.799492  9.35750 -1.23336 -0.610712 -0.198031 0.0541169 0.194670 0.259521 0.314456 0.370096 0.421302 0.454269 0.708083  1.19452 -1.31366 -1.05822
iter: 1  value: -398.8381 mgc: 0.1154496 ustep: 1 
iter: 2  value: -398.8381 mgc: 0.4584088 ustep: 1 
iter: 3  value: -398.8381 mgc: 1.200269e-06 ustep: 1 
iter: 4  mgc: 4.553457e-09 
iter: 1  mgc: 4.553457e-09 
outer mgc:  3.2402 
 85:     748.89012: -9.54241 -8.06003 -7.50925 -7.31202 -7.13193 -6.92013 -14.4572 -7.59751 -7.12447 -6.89081 -6.76752 -6.68717 -6.51246 -6.50923 -6.44407 -6.43934 -0.0456522 0.800342  9.35878 -1.23447 -0.610045 -0.198348 0.0549192 0.194878 0.259342 0.314504 0.370354 0.421326 0.462980 0.703304  1.18439 -1.31356 -1.05901
iter: 1  value: -398.7639 mgc: 0.07927024 ustep: 1 
iter: 2  value: -398.7639 mgc: 0.04160182 ustep: 1 
iter: 3  value: -398.7639 mgc: 5.191542e-08 ustep: 1 
iter: 4  mgc: 8.606449e-11 
iter: 1  mgc: 8.606449e-11 
outer mgc:  0.9687185 
 86:     748.88003: -9.53775 -8.06321 -7.50605 -7.30963 -7.13426 -6.91807 -14.4595 -7.59640 -7.12646 -6.88868 -6.76369 -6.69137 -6.50856 -6.50853 -6.44187 -6.44241 -0.0458435 0.800850  9.36023 -1.23719 -0.611059 -0.199339 0.0556242 0.195318 0.259910 0.315034 0.371585 0.423145 0.470601 0.704764  1.17545 -1.31382 -1.05823
iter: 1  value: -398.6377 mgc: 0.05787403 ustep: 1 
iter: 2  value: -398.6377 mgc: 0.04644396 ustep: 1 
iter: 3  value: -398.6377 mgc: 1.487137e-08 ustep: 1 
iter: 4  mgc: 9.553247e-11 
iter: 1  mgc: 9.553247e-11 
outer mgc:  1.187516 
 87:     748.87748: -9.53903 -8.06439 -7.50172 -7.30627 -7.13417 -6.92063 -14.4541 -7.59481 -7.12571 -6.88727 -6.77056 -6.69268 -6.50955 -6.51044 -6.43798 -6.44323 -0.0463166 0.800917  9.36025 -1.23798 -0.612906 -0.199150 0.0542208 0.195581 0.260604 0.315491 0.372088 0.424579 0.478394 0.702366  1.16706 -1.31370 -1.05631
iter: 1  value: -398.4007 mgc: 0.06927356 ustep: 1 
iter: 2  value: -398.4007 mgc: 0.008796113 ustep: 1 
iter: 3  mgc: 2.835619e-09 
iter: 1  mgc: 2.835619e-09 
outer mgc:  2.283105 
 88:     748.87351: -9.54620 -8.06432 -7.50572 -7.30961 -7.13401 -6.92208 -14.4501 -7.59609 -7.12610 -6.88863 -6.76894 -6.69229 -6.51273 -6.51115 -6.43992 -6.44326 -0.0471121 0.801032  9.36132 -1.23990 -0.613800 -0.199673 0.0537401 0.195855 0.260699 0.316448 0.373162 0.423940 0.487408 0.703970  1.15805 -1.31237 -1.05637
iter: 1  value: -398.5716 mgc: 0.07312197 ustep: 1 
iter: 2  value: -398.5716 mgc: 0.2166145 ustep: 1 
iter: 3  value: -398.5716 mgc: 1.269708e-07 ustep: 1 
iter: 4  mgc: 6.818546e-11 
iter: 1  mgc: 6.818546e-11 
outer mgc:  1.838755 
 89:     748.86946: -9.54973 -8.06578 -7.50952 -7.31265 -7.13603 -6.92194 -14.4518 -7.59646 -7.12739 -6.88893 -6.76730 -6.69311 -6.50947 -6.51147 -6.44502 -6.44392 -0.0474095 0.800482  9.36080 -1.23997 -0.613965 -0.199060 0.0547099 0.196021 0.259931 0.316067 0.372574 0.423710 0.496599 0.701290  1.14777 -1.31274 -1.05857
iter: 1  value: -398.7496 mgc: 0.04688875 ustep: 1 
iter: 2  value: -398.7496 mgc: 0.00415024 ustep: 1 
iter: 3  mgc: 1.631375e-09 
iter: 1  mgc: 1.631375e-09 
outer mgc:  0.5623251 
 90:     748.86699: -9.54550 -8.06426 -7.50492 -7.30868 -7.13567 -6.92192 -14.4608 -7.60214 -7.12850 -6.89219 -6.76753 -6.69101 -6.51269 -6.50941 -6.44547 -6.44517 -0.0470361 0.800723  9.35982 -1.24082 -0.614219 -0.199068 0.0558660 0.196523 0.259647 0.315655 0.372153 0.423666 0.502417 0.702409  1.14134 -1.31398 -1.06158
iter: 1  value: -397.2298 mgc: 0.1178777 ustep: 1 
iter: 2  value: -397.2298 mgc: 0.1418514 ustep: 1 
iter: 3  value: -397.2298 mgc: 9.649696e-08 ustep: 1 
iter: 4  mgc: 7.277201e-11 
iter: 1  value: -397.9825 mgc: 0.05464074 ustep: 1 
iter: 2  value: -397.9825 mgc: 0.03132269 ustep: 1 
iter: 3  mgc: 2.296847e-09 
iter: 1  mgc: 2.296847e-09 
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 91:     748.86585: -9.54548 -8.06453 -7.50580 -7.30944 -7.13554 -6.92229 -14.4607 -7.60065 -7.12797 -6.89196 -6.76834 -6.69283 -6.51189 -6.50981 -6.44490 -6.44484 -0.0468386 0.802666  9.36013 -1.24074 -0.613581 -0.200001 0.0541615 0.195492 0.262507 0.316221 0.372556 0.423908 0.502568 0.702109  1.14049 -1.31334 -1.06118
iter: 1  value: -398.8994 mgc: 0.07621233 ustep: 1 
iter: 2  value: -398.8994 mgc: 0.01671758 ustep: 1 
iter: 3  mgc: 3.747988e-09 
iter: 1  mgc: 3.747988e-09 
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 92:     748.86416: -9.54437 -8.06520 -7.50656 -7.31017 -7.13552 -6.92234 -14.4625 -7.59890 -7.12770 -6.89204 -6.76822 -6.69353 -6.51118 -6.51025 -6.44327 -6.44459 -0.0467958 0.799986  9.36106 -1.24137 -0.613794 -0.200350 0.0545543 0.195543 0.262124 0.316451 0.372916 0.423847 0.504263 0.702174  1.13867 -1.31350 -1.06086
iter: 1  value: -398.4338 mgc: 0.04303328 ustep: 1 
iter: 2  value: -398.4338 mgc: 0.005917756 ustep: 1 
iter: 3  mgc: 1.07861e-09 
iter: 1  mgc: 1.07861e-09 
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 93:     748.86303: -9.54406 -8.06398 -7.50716 -7.31056 -7.13477 -6.92182 -14.4622 -7.59763 -7.12820 -6.89096 -6.76890 -6.69392 -6.51093 -6.50966 -6.44406 -6.44390 -0.0467785 0.801226  9.36176 -1.24189 -0.614449 -0.200197 0.0553410 0.195747 0.261375 0.316390 0.372699 0.424443 0.506793 0.701840  1.13574 -1.31327 -1.05992
iter: 1  value: -398.3723 mgc: 0.01838517 ustep: 1 
iter: 2  value: -398.3723 mgc: 0.03923148 ustep: 1 
iter: 3  value: -398.3723 mgc: 1.095578e-08 ustep: 1 
iter: 4  mgc: 1.026792e-10 
iter: 1  mgc: 1.026792e-10 
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 94:     748.86267: -9.54427 -8.06412 -7.50695 -7.31058 -7.13494 -6.92159 -14.4601 -7.59917 -7.12722 -6.89148 -6.76851 -6.69330 -6.51027 -6.50983 -6.44327 -6.44409 -0.0470609 0.800990  9.36245 -1.24267 -0.614490 -0.199997 0.0544621 0.196074 0.261914 0.316909 0.373217 0.424421 0.509601 0.700744  1.13342 -1.31267 -1.05886
iter: 1  value: -398.4261 mgc: 0.03038362 ustep: 1 
iter: 2  value: -398.4261 mgc: 0.003575755 ustep: 1 
iter: 3  mgc: 2.601462e-10 
iter: 1  mgc: 2.601462e-10 
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 95:     748.86215: -9.54418 -8.06568 -7.50763 -7.31080 -7.13586 -6.92157 -14.4590 -7.59869 -7.12710 -6.89147 -6.76812 -6.69401 -6.51046 -6.51013 -6.44401 -6.44432 -0.0471863 0.800896  9.36170 -1.24343 -0.614876 -0.200044 0.0540910 0.196210 0.262334 0.316970 0.373459 0.424776 0.512571 0.701478  1.13014 -1.31270 -1.05897
iter: 1  value: -398.3901 mgc: 0.02497242 ustep: 1 
iter: 2  value: -398.3901 mgc: 0.003342185 ustep: 1 
iter: 3  mgc: 3.43903e-09 
iter: 1  mgc: 3.43903e-09 
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 96:     748.86204: -9.54556 -8.06611 -7.50756 -7.31145 -7.13580 -6.92259 -14.4598 -7.59764 -7.12826 -6.89205 -6.76782 -6.69520 -6.51335 -6.51068 -6.44274 -6.44506 -0.0469765 0.800805  9.36189 -1.24334 -0.614760 -0.200596 0.0544221 0.196001 0.261984 0.316869 0.373785 0.424706 0.514602 0.700965  1.12813 -1.31244 -1.05912
iter: 1  value: -398.215 mgc: 0.01735975 ustep: 1 
iter: 2  value: -398.215 mgc: 0.004860623 ustep: 1 
iter: 3  mgc: 1.01637e-09 
iter: 1  mgc: 1.01637e-09 
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 97:     748.86181: -9.54685 -8.06532 -7.50802 -7.31210 -7.13547 -6.92347 -14.4604 -7.59822 -7.12804 -6.89227 -6.76968 -6.69422 -6.51070 -6.51215 -6.44258 -6.44603 -0.0466003 0.801376  9.36171 -1.24348 -0.615451 -0.200551 0.0552496 0.196056 0.261696 0.316616 0.373212 0.425022 0.516454 0.700888  1.12620 -1.31255 -1.05923
iter: 1  value: -398.6152 mgc: 0.02317758 ustep: 1 
iter: 2  value: -398.6152 mgc: 0.02881999 ustep: 1 
iter: 3  mgc: 6.708887e-09 
iter: 1  value: -398.6454 mgc: 0.02407977 ustep: 1 
iter: 2  value: -398.6454 mgc: 0.01063378 ustep: 1 
iter: 3  mgc: 5.872333e-10 
iter: 1  mgc: 5.872333e-10 
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 98:     748.86175: -9.54665 -8.06521 -7.50799 -7.31160 -7.13555 -6.92269 -14.4601 -7.59841 -7.12784 -6.89199 -6.76994 -6.69472 -6.51087 -6.51144 -6.44353 -6.44529 -0.0465449 0.800206  9.36156 -1.24372 -0.615454 -0.200121 0.0548597 0.196262 0.262064 0.316755 0.373206 0.425061 0.517112 0.700603  1.12547 -1.31285 -1.05911
iter: 1  value: -398.3092 mgc: 0.03161754 ustep: 1 
iter: 2  value: -398.3092 mgc: 0.003051171 ustep: 1 
iter: 3  mgc: 2.098259e-10 
iter: 1  mgc: 2.098259e-10 
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 99:     748.86138: -9.54644 -8.06519 -7.50794 -7.31142 -7.13553 -6.92248 -14.4601 -7.59847 -7.12772 -6.89195 -6.76987 -6.69485 -6.51091 -6.51118 -6.44364 -6.44502 -0.0465361 0.801199  9.36157 -1.24396 -0.615526 -0.200160 0.0548188 0.196275 0.262118 0.316846 0.373302 0.425080 0.517324 0.700988  1.12525 -1.31274 -1.05901
iter: 1  value: -398.353 mgc: 0.01114381 ustep: 1 
iter: 2  value: -398.353 mgc: 0.005843213 ustep: 1 
iter: 3  mgc: 1.957443e-10 
iter: 1  mgc: 1.957443e-10 
outer mgc:  0.2127499 
100:     748.86125: -9.54585 -8.06515 -7.50789 -7.31135 -7.13532 -6.92230 -14.4602 -7.59848 -7.12756 -6.89188 -6.76960 -6.69481 -6.51077 -6.51095 -6.44351 -6.44480 -0.0465674 0.801028  9.36159 -1.24406 -0.615474 -0.200248 0.0547749 0.196270 0.262158 0.316898 0.373397 0.425019 0.517880 0.700535  1.12465 -1.31274 -1.05884
iter: 1  value: -398.3614 mgc: 0.006155006 ustep: 1 
iter: 2  value: -398.3614 mgc: 0.0003566409 ustep: 1 
iter: 3  mgc: 8.60485e-11 
iter: 1  mgc: 8.60485e-11 
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101:     748.86120: -9.54547 -8.06478 -7.50769 -7.31153 -7.13538 -6.92220 -14.4602 -7.59851 -7.12751 -6.89180 -6.76935 -6.69475 -6.51074 -6.51073 -6.44326 -6.44467 -0.0465804 0.800971  9.36178 -1.24432 -0.615521 -0.200386 0.0547520 0.196302 0.262186 0.316991 0.373558 0.425074 0.518504 0.700636  1.12397 -1.31267 -1.05861
iter: 1  value: -398.3453 mgc: 0.006472313 ustep: 1 
iter: 2  value: -398.3453 mgc: 0.0002877524 ustep: 1 
iter: 3  mgc: 9.549783e-11 
iter: 1  mgc: 9.549783e-11 
outer mgc:  0.04532225 
102:     748.86117: -9.54543 -8.06508 -7.50808 -7.31092 -7.13520 -6.92214 -14.4601 -7.59860 -7.12753 -6.89178 -6.76937 -6.69484 -6.51083 -6.51066 -6.44355 -6.44463 -0.0465631 0.801009  9.36171 -1.24440 -0.615577 -0.200371 0.0547766 0.196302 0.262167 0.316973 0.373553 0.425174 0.519117 0.700561  1.12330 -1.31267 -1.05859
iter: 1  value: -398.3496 mgc: 0.01580376 ustep: 1 
iter: 2  value: -398.3496 mgc: 0.004901313 ustep: 1 
iter: 3  mgc: 9.52447e-11 
iter: 1  value: -398.3472 mgc: 0.003411441 ustep: 1 
iter: 2  value: -398.3472 mgc: 0.0002254028 ustep: 1 
iter: 3  mgc: 6.962031e-11 
iter: 1  mgc: 6.962031e-11 
outer mgc:  0.1306851 
103:     748.86116: -9.54543 -8.06511 -7.50801 -7.31096 -7.13524 -6.92219 -14.4601 -7.59862 -7.12755 -6.89183 -6.76936 -6.69490 -6.51086 -6.51064 -6.44355 -6.44460 -0.0465302 0.800975  9.36172 -1.24439 -0.615562 -0.200427 0.0547495 0.196255 0.262173 0.316963 0.373581 0.425153 0.519219 0.700444  1.12330 -1.31263 -1.05861
iter: 1  value: -398.3401 mgc: 0.0031067 ustep: 1 
iter: 2  value: -398.3401 mgc: 0.0001065579 ustep: 1 
iter: 3  mgc: 1.081941e-10 
iter: 1  mgc: 1.081941e-10 
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104:     748.86114: -9.54543 -8.06517 -7.50794 -7.31103 -7.13527 -6.92220 -14.4601 -7.59863 -7.12756 -6.89184 -6.76938 -6.69493 -6.51087 -6.51063 -6.44362 -6.44459 -0.0465194 0.801004  9.36169 -1.24443 -0.615587 -0.200425 0.0547472 0.196256 0.262178 0.316970 0.373590 0.425177 0.519309 0.700541  1.12319 -1.31263 -1.05863
iter: 1  value: -398.336 mgc: 0.002207973 ustep: 1 
iter: 2  value: -398.336 mgc: 7.124866e-05 ustep: 1 
iter: 3  mgc: 8.068035e-11 
iter: 1  mgc: 8.068035e-11 
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105:     748.86113: -9.54541 -8.06525 -7.50782 -7.31116 -7.13540 -6.92222 -14.4600 -7.59866 -7.12758 -6.89186 -6.76943 -6.69499 -6.51092 -6.51063 -6.44376 -6.44459 -0.0464929 0.801001  9.36167 -1.24443 -0.615582 -0.200401 0.0547489 0.196249 0.262175 0.316964 0.373585 0.425195 0.519542 0.700460  1.12291 -1.31262 -1.05867
iter: 1  value: -398.3262 mgc: 0.003134588 ustep: 1 
iter: 2  value: -398.3262 mgc: 0.0001330272 ustep: 1 
iter: 3  mgc: 9.090506e-11 
iter: 1  mgc: 9.090506e-11 
outer mgc:  0.02609171 
106:     748.86111: -9.54535 -8.06523 -7.50805 -7.31114 -7.13575 -6.92239 -14.4602 -7.59864 -7.12764 -6.89193 -6.76945 -6.69502 -6.51096 -6.51084 -6.44368 -6.44481 -0.0464391 0.801010  9.36174 -1.24445 -0.615546 -0.200421 0.0547281 0.196254 0.262187 0.316992 0.373653 0.425181 0.520036 0.700495  1.12239 -1.31258 -1.05877
iter: 1  value: -398.3757 mgc: 0.006986425 ustep: 1 
iter: 2  value: -398.3757 mgc: 0.0002759605 ustep: 1 
iter: 3  mgc: 8.785905e-11 
iter: 1  value: -398.3467 mgc: 0.002396401 ustep: 1 
iter: 2  value: -398.3467 mgc: 4.198207e-05 ustep: 1 
iter: 3  mgc: 7.758416e-11 
iter: 1  mgc: 7.758416e-11 
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107:     748.86111: -9.54536 -8.06527 -7.50797 -7.31118 -7.13572 -6.92239 -14.4602 -7.59868 -7.12766 -6.89199 -6.76944 -6.69508 -6.51101 -6.51079 -6.44368 -6.44479 -0.0464138 0.800945  9.36176 -1.24451 -0.615626 -0.200477 0.0547496 0.196258 0.262201 0.316988 0.373618 0.425180 0.520150 0.700559  1.12238 -1.31256 -1.05877
iter: 1  value: -398.328 mgc: 0.002553768 ustep: 1 
iter: 2  value: -398.328 mgc: 7.796312e-05 ustep: 1 
iter: 3  mgc: 9.087464e-11 
iter: 1  mgc: 9.087464e-11 
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108:     748.86110: -9.54536 -8.06533 -7.50795 -7.31122 -7.13562 -6.92240 -14.4603 -7.59868 -7.12766 -6.89199 -6.76943 -6.69507 -6.51100 -6.51080 -6.44369 -6.44480 -0.0464086 0.800982  9.36179 -1.24450 -0.615611 -0.200475 0.0547502 0.196262 0.262202 0.316991 0.373627 0.425180 0.520267 0.700467  1.12223 -1.31254 -1.05877
iter: 1  value: -398.3154 mgc: 0.00194592 ustep: 1 
iter: 2  value: -398.3154 mgc: 2.542619e-05 ustep: 1 
mgc: 9.45839e-11 
iter: 1  mgc: 9.45839e-11 
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109:     748.86110: -9.54538 -8.06537 -7.50790 -7.31125 -7.13558 -6.92239 -14.4603 -7.59870 -7.12767 -6.89200 -6.76944 -6.69508 -6.51102 -6.51079 -6.44370 -6.44480 -0.0463985 0.801015  9.36182 -1.24455 -0.615634 -0.200473 0.0547520 0.196270 0.262211 0.317010 0.373651 0.425208 0.520392 0.700514  1.12206 -1.31252 -1.05876
iter: 1  value: -398.3181 mgc: 0.001826964 ustep: 1 
iter: 2  value: -398.3181 mgc: 0.0001336562 ustep: 1 
mgc: 1.025526e-10 
iter: 1  mgc: 1.025526e-10 
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110:     748.86109: -9.54540 -8.06535 -7.50789 -7.31126 -7.13555 -6.92238 -14.4602 -7.59869 -7.12766 -6.89199 -6.76944 -6.69507 -6.51102 -6.51078 -6.44370 -6.44478 -0.0464025 0.800996  9.36184 -1.24456 -0.615640 -0.200476 0.0547563 0.196270 0.262207 0.317012 0.373651 0.425215 0.520549 0.700443  1.12189 -1.31251 -1.05874
iter: 1  value: -398.3215 mgc: 0.001090217 ustep: 1 
iter: 2  value: -398.3215 mgc: 1.296913e-05 ustep: 1 
mgc: 9.886503e-11 
iter: 1  mgc: 9.886503e-11 
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111:     748.86108: -9.54540 -8.06533 -7.50787 -7.31127 -7.13555 -6.92237 -14.4602 -7.59869 -7.12767 -6.89199 -6.76943 -6.69508 -6.51102 -6.51075 -6.44369 -6.44476 -0.0464009 0.800984  9.36183 -1.24461 -0.615673 -0.200486 0.0547523 0.196276 0.262218 0.317020 0.373659 0.425227 0.520722 0.700460  1.12173 -1.31251 -1.05872
iter: 1  value: -398.3154 mgc: 0.0006644895 ustep: 1 
iter: 2  value: -398.3154 mgc: 0.0001801198 ustep: 1 
mgc: 8.849099e-11 
iter: 1  value: -398.3059 mgc: 0.001410033 ustep: 1 
iter: 2  value: -398.3059 mgc: 0.0005814975 ustep: 1 
iter: 3  mgc: 8.07785e-11 
iter: 1  mgc: 8.07785e-11 
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112:     748.86107: -9.54537 -8.06538 -7.50780 -7.31134 -7.13542 -6.92232 -14.4602 -7.59862 -7.12764 -6.89194 -6.76941 -6.69505 -6.51094 -6.51078 -6.44376 -6.44477 -0.0464745 0.801022  9.36174 -1.24472 -0.615733 -0.200487 0.0547670 0.196259 0.262220 0.317071 0.373676 0.425231 0.521809 0.700402  1.12058 -1.31251 -1.05862
iter: 1  value: -398.283 mgc: 0.003937024 ustep: 1 
iter: 2  value: -398.283 mgc: 0.0005867856 ustep: 1 
iter: 3  mgc: 8.921752e-11 
iter: 1  value: -398.3037 mgc: 0.002168827 ustep: 1 
iter: 2  value: -398.3037 mgc: 0.0002034096 ustep: 1 
iter: 3  mgc: 1.057927e-10 
iter: 1  mgc: 1.057927e-10 
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113:     748.86106: -9.54558 -8.06528 -7.50778 -7.31127 -7.13560 -6.92224 -14.4602 -7.59868 -7.12764 -6.89194 -6.76941 -6.69510 -6.51094 -6.51062 -6.44364 -6.44458 -0.0464527 0.800994  9.36187 -1.24480 -0.615787 -0.200512 0.0547637 0.196340 0.262248 0.317077 0.373711 0.425318 0.522206 0.700311  1.12016 -1.31246 -1.05861
iter: 1  value: -398.319 mgc: 0.004857916 ustep: 1 
iter: 2  value: -398.319 mgc: 0.0001326017 ustep: 1 
iter: 3  mgc: 9.125367e-11 
iter: 1  value: -398.3131 mgc: 0.002444126 ustep: 1 
iter: 2  value: -398.3131 mgc: 2.406954e-05 ustep: 1 
iter: 3  mgc: 8.366907e-11 
iter: 1  mgc: 8.366907e-11 
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114:     748.86106: -9.54555 -8.06541 -7.50780 -7.31129 -7.13549 -6.92234 -14.4603 -7.59873 -7.12769 -6.89201 -6.76941 -6.69514 -6.51101 -6.51066 -6.44364 -6.44469 -0.0464036 0.800955  9.36192 -1.24486 -0.615771 -0.200514 0.0547460 0.196352 0.262269 0.317097 0.373758 0.425315 0.522364 0.700317  1.12004 -1.31244 -1.05862
iter: 1  value: -398.2984 mgc: 0.001306004 ustep: 1 
iter: 2  value: -398.2984 mgc: 2.042696e-05 ustep: 1 
iter: 3  mgc: 1.079627e-10 
iter: 1  mgc: 1.079627e-10 
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115:     748.86106: -9.54541 -8.06533 -7.50779 -7.31128 -7.13561 -6.92239 -14.4602 -7.59876 -7.12772 -6.89204 -6.76943 -6.69517 -6.51112 -6.51067 -6.44371 -6.44479 -0.0463862 0.800995  9.36184 -1.24492 -0.615801 -0.200504 0.0547518 0.196306 0.262285 0.317086 0.373724 0.425310 0.522474 0.700320  1.11992 -1.31244 -1.05859
iter: 1  value: -398.3031 mgc: 0.001315513 ustep: 1 
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mgc: 8.74536e-11 
iter: 1  mgc: 8.74536e-11 
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116:     748.86105: -9.54540 -8.06539 -7.50778 -7.31127 -7.13564 -6.92237 -14.4603 -7.59877 -7.12771 -6.89209 -6.76949 -6.69522 -6.51113 -6.51074 -6.44372 -6.44476 -0.0463496 0.801007  9.36174 -1.24485 -0.615803 -0.200535 0.0547485 0.196279 0.262249 0.317097 0.373754 0.425307 0.522669 0.700303  1.11972 -1.31249 -1.05865
iter: 1  value: -398.3024 mgc: 0.001292194 ustep: 1 
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mgc: 9.126033e-11 
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117:     748.86105: -9.54537 -8.06546 -7.50780 -7.31132 -7.13563 -6.92240 -14.4603 -7.59878 -7.12773 -6.89208 -6.76949 -6.69517 -6.51115 -6.51076 -6.44374 -6.44484 -0.0463240 0.800983  9.36186 -1.24489 -0.615818 -0.200582 0.0547643 0.196325 0.262283 0.317062 0.373742 0.425352 0.522853 0.700277  1.11950 -1.31244 -1.05866
iter: 1  value: -398.3025 mgc: 0.00158785 ustep: 1 
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mgc: 7.206341e-11 
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mgc: 1.043619e-10 
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mgc: 8.554124e-11 
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iter: 3  mgc: 8.548096e-11 
outer mgc:  1.003267 
iter: 1  value: -398.3002 mgc: 0.001097103 ustep: 1 
iter: 2  value: -398.3002 mgc: 2.199013e-06 ustep: 1 
mgc: 8.952039e-11 
outer mgc:  0.03169256 
iter: 1  value: -398.3009 mgc: 0.001097103 ustep: 1 
iter: 2  value: -398.3009 mgc: 2.199065e-06 ustep: 1 
mgc: 1.072952e-10 
outer mgc:  0.03169256 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.0005247033 ustep: 1 
iter: 3  mgc: 1.060645e-10 
outer mgc:  0.3823998 
iter: 1  value: -398.3007 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.0005250457 ustep: 1 
iter: 3  mgc: 8.387885e-11 
outer mgc:  0.3826443 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.0003164233 ustep: 1 
iter: 3  mgc: 8.351364e-11 
outer mgc:  0.2746425 
iter: 1  value: -398.3006 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3006 mgc: 0.0003161576 ustep: 1 
iter: 3  mgc: 1.030838e-10 
outer mgc:  0.2746419 
iter: 1  value: -398.3003 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3003 mgc: 0.0004576983 ustep: 1 
iter: 3  mgc: 8.604673e-11 
outer mgc:  0.3013851 
iter: 1  value: -398.3005 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3005 mgc: 0.0004574364 ustep: 1 
iter: 3  mgc: 7.769874e-11 
outer mgc:  0.3013847 
iter: 1  value: -398.3004 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.001097851 ustep: 1 
iter: 3  mgc: 9.656631e-11 
outer mgc:  0.3077669 
iter: 1  value: -398.3004 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.001097108 ustep: 1 
iter: 3  mgc: 9.188206e-11 
outer mgc:  0.3077666 
iter: 1  value: -398.3005 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3005 mgc: 0.001179036 ustep: 1 
iter: 3  mgc: 8.231638e-11 
outer mgc:  0.3064899 
iter: 1  value: -398.3003 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3003 mgc: 0.001178365 ustep: 1 
iter: 3  mgc: 8.669687e-11 
outer mgc:  0.3064903 
iter: 1  value: -398.3007 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.002494611 ustep: 1 
iter: 3  mgc: 8.016876e-11 
outer mgc:  0.3010362 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.002497978 ustep: 1 
iter: 3  mgc: 9.77205e-11 
outer mgc:  0.3010364 
iter: 1  value: -398.3007 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.006139472 ustep: 1 
iter: 3  mgc: 1.389706e-10 
outer mgc:  0.2993251 
iter: 1  value: -398.3001 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3001 mgc: 0.00614722 ustep: 1 
iter: 3  mgc: 1.390152e-10 
outer mgc:  0.2993263 
iter: 1  value: -398.3006 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3006 mgc: 0.003745157 ustep: 1 
iter: 3  mgc: 1.073979e-10 
outer mgc:  0.2918085 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.003748186 ustep: 1 
iter: 3  mgc: 1.091159e-10 
outer mgc:  0.2918082 
iter: 1  value: -398.3004 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.01279635 ustep: 1 
iter: 3  mgc: 3.226729e-10 
outer mgc:  0.2851525 
iter: 1  value: -398.3005 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3005 mgc: 0.01280889 ustep: 1 
iter: 3  mgc: 3.269345e-10 
outer mgc:  0.285152 
iter: 1  value: -398.2998 mgc: 0.0008307814 ustep: 1 
iter: 2  value: -398.2998 mgc: 0.001364663 ustep: 1 
iter: 3  mgc: 8.733814e-11 
outer mgc:  0.2365764 
iter: 1  value: -398.3011 mgc: 0.0008307812 ustep: 1 
iter: 2  value: -398.3011 mgc: 0.001364124 ustep: 1 
iter: 3  mgc: 1.024674e-10 
outer mgc:  0.2365774 
iter: 1  value: -398.3278 mgc: 0.02767243 ustep: 1 
iter: 2  value: -398.3278 mgc: 0.007343779 ustep: 1 
iter: 3  mgc: 2.560034e-10 
outer mgc:  1.437291 
iter: 1  value: -398.2719 mgc: 0.02770591 ustep: 1 
iter: 2  value: -398.2719 mgc: 0.007229326 ustep: 1 
iter: 3  mgc: 2.456838e-10 
outer mgc:  1.437716 
iter: 1  value: -398.3008 mgc: 0.0007191621 ustep: 1 
iter: 2  value: -398.3008 mgc: 0.0001090547 ustep: 1 
iter: 3  mgc: 8.195755e-11 
outer mgc:  0.2234199 
iter: 1  value: -398.3001 mgc: 0.0007203241 ustep: 1 
iter: 2  value: -398.3001 mgc: 0.0001067693 ustep: 1 
iter: 3  mgc: 9.863133e-11 
outer mgc:  0.2237717 
iter: 1  value: -398.1283 mgc: 0.01387446 ustep: 1 
iter: 2  value: -398.1283 mgc: 0.000653966 ustep: 1 
iter: 3  mgc: 7.745804e-11 
outer mgc:  0.1175749 
iter: 1  value: -398.4729 mgc: 0.01390224 ustep: 1 
iter: 2  value: -398.4729 mgc: 0.0006531374 ustep: 1 
iter: 3  mgc: 8.050804e-11 
outer mgc:  0.1177031 
iter: 1  value: -398.2944 mgc: 0.0009411761 ustep: 1 
iter: 2  value: -398.2944 mgc: 0.0007280837 ustep: 1 
iter: 3  mgc: 8.044365e-11 
outer mgc:  0.04137707 
iter: 1  value: -398.3067 mgc: 0.0009430602 ustep: 1 
iter: 2  value: -398.3067 mgc: 0.0007299371 ustep: 1 
iter: 3  mgc: 9.965895e-11 
outer mgc:  0.04141698 
iter: 1  mgc: 3.824474e-10 
iter: 1  mgc: 3.824474e-10 
outer mgc:  6.454393e-12 
iter: 1  value: -398.3009 mgc: 0.003706434 ustep: 1 
iter: 2  value: -398.3009 mgc: 3.559716e-06 ustep: 1 
mgc: 8.810908e-11 
outer mgc:  0.02520017 
iter: 1  value: -398.3002 mgc: 0.003706434 ustep: 1 
iter: 2  value: -398.3002 mgc: 3.559866e-06 ustep: 1 
mgc: 7.458745e-11 
outer mgc:  0.02520017 
iter: 1  value: -398.3011 mgc: 0.007015493 ustep: 1 
iter: 2  value: -398.3011 mgc: 9.660684e-06 ustep: 1 
mgc: 1.078215e-10 
outer mgc:  0.05213869 
iter: 1  value: -398.3 mgc: 0.007015493 ustep: 1 
iter: 2  value: -398.3 mgc: 9.660158e-06 ustep: 1 
mgc: 6.950795e-11 
outer mgc:  0.05213868 
iter: 1  value: -398.3012 mgc: 0.009767549 ustep: 1 
iter: 2  value: -398.3012 mgc: 8.794847e-06 ustep: 1 
mgc: 7.793233e-11 
outer mgc:  0.06422607 
iter: 1  value: -398.2998 mgc: 0.009767548 ustep: 1 
iter: 2  value: -398.2998 mgc: 8.794141e-06 ustep: 1 
mgc: 9.24274e-11 
outer mgc:  0.06422608 
iter: 1  value: -398.3012 mgc: 0.01011056 ustep: 1 
iter: 2  value: -398.3012 mgc: 5.550338e-05 ustep: 1 
mgc: 7.940759e-11 
outer mgc:  0.06409432 
iter: 1  value: -398.2998 mgc: 0.01011056 ustep: 1 
iter: 2  value: -398.2998 mgc: 5.550408e-05 ustep: 1 
mgc: 9.671375e-11 
outer mgc:  0.06409433 
iter: 1  value: -398.3011 mgc: 0.008615794 ustep: 1 
iter: 2  value: -398.3011 mgc: 3.74016e-05 ustep: 1 
iter: 3  mgc: 9.72129e-11 
outer mgc:  0.05337854 
iter: 1  value: -398.3 mgc: 0.008615794 ustep: 1 
iter: 2  value: -398.3 mgc: 3.740177e-05 ustep: 1 
iter: 3  mgc: 1.070752e-10 
outer mgc:  0.05337855 
iter: 1  value: -398.3016 mgc: 0.007631977 ustep: 1 
iter: 2  value: -398.3016 mgc: 0.002681323 ustep: 1 
iter: 3  mgc: 1.23821e-10 
outer mgc:  0.1482348 
iter: 1  value: -398.2994 mgc: 0.007631976 ustep: 1 
iter: 2  value: -398.2994 mgc: 0.002679249 ustep: 1 
iter: 3  mgc: 1.254231e-10 
outer mgc:  0.1482339 
iter: 1  value: -398.3009 mgc: 0.002574514 ustep: 1 
iter: 2  value: -398.3009 mgc: 1.624781e-06 ustep: 1 
mgc: 8.994938e-11 
outer mgc:  0.02822137 
iter: 1  value: -398.3002 mgc: 0.002574515 ustep: 1 
iter: 2  value: -398.3002 mgc: 1.624761e-06 ustep: 1 
mgc: 7.424034e-11 
outer mgc:  0.02822137 
iter: 1  value: -398.3014 mgc: 0.009933025 ustep: 1 
iter: 2  value: -398.3014 mgc: 1.426304e-05 ustep: 1 
iter: 3  mgc: 1.030731e-10 
outer mgc:  0.07855888 
iter: 1  value: -398.2997 mgc: 0.009933025 ustep: 1 
iter: 2  value: -398.2997 mgc: 1.426229e-05 ustep: 1 
iter: 3  mgc: 7.811174e-11 
outer mgc:  0.07855884 
iter: 1  value: -398.3015 mgc: 0.01055832 ustep: 1 
iter: 2  value: -398.3015 mgc: 1.519739e-05 ustep: 1 
iter: 3  mgc: 8.292034e-11 
outer mgc:  0.09864115 
iter: 1  value: -398.2995 mgc: 0.01055832 ustep: 1 
iter: 2  value: -398.2995 mgc: 1.519648e-05 ustep: 1 
iter: 3  mgc: 7.692202e-11 
outer mgc:  0.0986411 
iter: 1  value: -398.3015 mgc: 0.01007467 ustep: 1 
iter: 2  value: -398.3015 mgc: 1.430639e-05 ustep: 1 
iter: 3  mgc: 7.977263e-11 
outer mgc:  0.1033765 
iter: 1  value: -398.2995 mgc: 0.01007467 ustep: 1 
iter: 2  value: -398.2995 mgc: 1.430415e-05 ustep: 1 
iter: 3  mgc: 8.248513e-11 
outer mgc:  0.1033764 
iter: 1  value: -398.3014 mgc: 0.009126244 ustep: 1 
iter: 2  value: -398.3014 mgc: 1.525956e-05 ustep: 1 
iter: 3  mgc: 8.407852e-11 
outer mgc:  0.0975694 
iter: 1  value: -398.2996 mgc: 0.009126244 ustep: 1 
iter: 2  value: -398.2996 mgc: 1.525731e-05 ustep: 1 
iter: 3  mgc: 9.1541e-11 
outer mgc:  0.09756936 
iter: 1  value: -398.3013 mgc: 0.007835454 ustep: 1 
iter: 2  value: -398.3013 mgc: 1.691626e-05 ustep: 1 
iter: 3  mgc: 8.777867e-11 
outer mgc:  0.08854 
iter: 1  value: -398.2997 mgc: 0.007835454 ustep: 1 
iter: 2  value: -398.2997 mgc: 1.691486e-05 ustep: 1 
iter: 3  mgc: 9.408563e-11 
outer mgc:  0.08853998 
iter: 1  value: -398.3013 mgc: 0.006250564 ustep: 1 
iter: 2  value: -398.3013 mgc: 1.466577e-05 ustep: 1 
iter: 3  mgc: 1.016471e-10 
outer mgc:  0.08090369 
iter: 1  value: -398.2998 mgc: 0.006250564 ustep: 1 
iter: 2  value: -398.2998 mgc: 1.466467e-05 ustep: 1 
iter: 3  mgc: 8.110934e-11 
outer mgc:  0.08090367 
iter: 1  value: -398.301 mgc: 0.005564358 ustep: 1 
iter: 2  value: -398.301 mgc: 1.730576e-05 ustep: 1 
iter: 3  mgc: 9.81295e-11 
outer mgc:  0.06682902 
iter: 1  value: -398.3 mgc: 0.005564358 ustep: 1 
iter: 2  value: -398.3 mgc: 1.730398e-05 ustep: 1 
iter: 3  mgc: 8.851808e-11 
outer mgc:  0.06682902 
iter: 1  value: -398.3008 mgc: 0.004088681 ustep: 1 
iter: 2  value: -398.3008 mgc: 2.74176e-05 ustep: 1 
iter: 3  mgc: 8.311973e-11 
outer mgc:  0.05431072 
iter: 1  value: -398.3003 mgc: 0.004088681 ustep: 1 
iter: 2  value: -398.3003 mgc: 2.741411e-05 ustep: 1 
iter: 3  mgc: 7.678991e-11 
outer mgc:  0.05431078 
iter: 1  value: -398.3004 mgc: 0.005319832 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.001441151 ustep: 1 
iter: 3  mgc: 9.736356e-11 
outer mgc:  0.07272367 
iter: 1  value: -398.3007 mgc: 0.005319832 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.001439944 ustep: 1 
iter: 3  mgc: 1.033078e-10 
outer mgc:  0.07272693 
iter: 1  value: -398.2997 mgc: 0.005023858 ustep: 1 
iter: 2  value: -398.2997 mgc: 3.432427e-05 ustep: 1 
mgc: 7.663559e-11 
outer mgc:  0.05600979 
iter: 1  value: -398.3014 mgc: 0.005033915 ustep: 1 
iter: 2  value: -398.3014 mgc: 3.445388e-05 ustep: 1 
mgc: 8.494005e-11 
outer mgc:  0.05611086 
iter: 1  value: -397.9682 mgc: 0.02875326 ustep: 1 
iter: 2  value: -397.9682 mgc: 0.001336299 ustep: 1 
iter: 3  mgc: 9.109247e-11 
outer mgc:  1.00173 
iter: 1  value: -398.632 mgc: 0.02881082 ustep: 1 
iter: 2  value: -398.632 mgc: 0.001334125 ustep: 1 
iter: 3  mgc: 1.214628e-10 
outer mgc:  1.003267 
iter: 1  value: -398.3002 mgc: 0.001097103 ustep: 1 
iter: 2  value: -398.3002 mgc: 2.199033e-06 ustep: 1 
mgc: 8.73408e-11 
outer mgc:  0.03169256 
iter: 1  value: -398.3009 mgc: 0.001097103 ustep: 1 
iter: 2  value: -398.3009 mgc: 2.199046e-06 ustep: 1 
mgc: 6.85616e-11 
outer mgc:  0.03169256 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.0005247033 ustep: 1 
iter: 3  mgc: 9.554135e-11 
outer mgc:  0.3823998 
iter: 1  value: -398.3007 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.0005250457 ustep: 1 
iter: 3  mgc: 8.602363e-11 
outer mgc:  0.3826443 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.0003164233 ustep: 1 
iter: 3  mgc: 1.01164e-10 
outer mgc:  0.2746425 
iter: 1  value: -398.3006 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3006 mgc: 0.0003161576 ustep: 1 
iter: 3  mgc: 1.081214e-10 
outer mgc:  0.2746419 
iter: 1  value: -398.3003 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3003 mgc: 0.0004576983 ustep: 1 
iter: 3  mgc: 8.267964e-11 
outer mgc:  0.3013851 
iter: 1  value: -398.3005 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3005 mgc: 0.0004574364 ustep: 1 
iter: 3  mgc: 7.901413e-11 
outer mgc:  0.3013847 
iter: 1  value: -398.3004 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.001097851 ustep: 1 
iter: 3  mgc: 9.77729e-11 
outer mgc:  0.3077669 
iter: 1  value: -398.3004 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.001097108 ustep: 1 
iter: 3  mgc: 8.272405e-11 
outer mgc:  0.3077666 
iter: 1  value: -398.3005 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3005 mgc: 0.001179036 ustep: 1 
iter: 3  mgc: 8.694911e-11 
outer mgc:  0.3064899 
iter: 1  value: -398.3003 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3003 mgc: 0.001178365 ustep: 1 
iter: 3  mgc: 7.917933e-11 
outer mgc:  0.3064903 
iter: 1  value: -398.3007 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.002494611 ustep: 1 
iter: 3  mgc: 7.989698e-11 
outer mgc:  0.3010362 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.002497978 ustep: 1 
iter: 3  mgc: 8.563639e-11 
outer mgc:  0.3010364 
iter: 1  value: -398.3007 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3007 mgc: 0.006139472 ustep: 1 
iter: 3  mgc: 1.372574e-10 
outer mgc:  0.2993251 
iter: 1  value: -398.3001 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3001 mgc: 0.00614722 ustep: 1 
iter: 3  mgc: 1.403518e-10 
outer mgc:  0.2993263 
iter: 1  value: -398.3006 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3006 mgc: 0.003745157 ustep: 1 
iter: 3  mgc: 1.071218e-10 
outer mgc:  0.2918085 
iter: 1  value: -398.3002 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3002 mgc: 0.003748186 ustep: 1 
iter: 3  mgc: 1.043085e-10 
outer mgc:  0.2918082 
iter: 1  value: -398.3004 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3004 mgc: 0.01279635 ustep: 1 
iter: 3  mgc: 3.223501e-10 
outer mgc:  0.2851525 
iter: 1  value: -398.3005 mgc: 0.01242261 ustep: 1 
iter: 2  value: -398.3005 mgc: 0.01280889 ustep: 1 
iter: 3  mgc: 3.266104e-10 
outer mgc:  0.285152 
iter: 1  value: -398.2998 mgc: 0.0008307814 ustep: 1 
iter: 2  value: -398.2998 mgc: 0.001364663 ustep: 1 
iter: 3  mgc: 9.05267e-11 
outer mgc:  0.2365764 
iter: 1  value: -398.3011 mgc: 0.0008307812 ustep: 1 
iter: 2  value: -398.3011 mgc: 0.001364124 ustep: 1 
iter: 3  mgc: 8.052603e-11 
outer mgc:  0.2365774 
iter: 1  value: -398.3278 mgc: 0.02767243 ustep: 1 
iter: 2  value: -398.3278 mgc: 0.007343779 ustep: 1 
iter: 3  mgc: 2.522994e-10 
outer mgc:  1.437291 
iter: 1  value: -398.2719 mgc: 0.02770591 ustep: 1 
iter: 2  value: -398.2719 mgc: 0.007229326 ustep: 1 
iter: 3  mgc: 2.453615e-10 
outer mgc:  1.437716 
iter: 1  value: -398.3008 mgc: 0.0007191621 ustep: 1 
iter: 2  value: -398.3008 mgc: 0.0001090547 ustep: 1 
iter: 3  mgc: 9.87268e-11 
outer mgc:  0.2234199 
iter: 1  value: -398.3001 mgc: 0.0007203241 ustep: 1 
iter: 2  value: -398.3001 mgc: 0.0001067693 ustep: 1 
iter: 3  mgc: 8.721557e-11 
outer mgc:  0.2237717 
iter: 1  value: -398.1283 mgc: 0.01387446 ustep: 1 
iter: 2  value: -398.1283 mgc: 0.000653966 ustep: 1 
iter: 3  mgc: 8.753354e-11 
outer mgc:  0.1175749 
iter: 1  value: -398.4729 mgc: 0.01390224 ustep: 1 
iter: 2  value: -398.4729 mgc: 0.0006531373 ustep: 1 
iter: 3  mgc: 9.891332e-11 
outer mgc:  0.1177031 
iter: 1  value: -398.2944 mgc: 0.0009411761 ustep: 1 
iter: 2  value: -398.2944 mgc: 0.0007280837 ustep: 1 
iter: 3  mgc: 9.180745e-11 
outer mgc:  0.04137707 
iter: 1  value: -398.3067 mgc: 0.0009430602 ustep: 1 
iter: 2  value: -398.3067 mgc: 0.0007299371 ustep: 1 
iter: 3  mgc: 8.642598e-11 
outer mgc:  0.04141698 
outer mgc:  1 
In [6]:
# Print results
print(fit$opt$objective)
[1] 748.8611
attr(,"logarithm")
[1] TRUE
In [7]:
plot(fit)