#!/usr/bin/env python
# coding: utf-8

# In[1]:


from pyiron import Project


# In[2]:


pr = Project('sqs')


# In[4]:


ni_fcc = pr.create_ase_bulk("Ni", cubic=True)
ni_fcc.set_repeat([2,2,2])


# In[5]:


job = pr.create_job(pr.job_type.SQSJob, "ni_cr_fcc_sqs")
job.structure = ni_fcc
job.input['mole_fractions'] = {"Ni": 0.8, 'Cr': 0.2}
job.input['iterations'] = 1e6
job.server.cores = 2
job.run()


# In[6]:


job["output"]


# In[7]:


job["output/cycle_time"]


# In[8]:


job["output/decmp"]


# In[9]:


job["output/iterations"]


# In[10]:


pr.job_table()