element(s):
['Cr', 'Fe']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2505']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.2505, 0, 0], [0, 4.2505, 0], [0, 0, 4.2505]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:14      -13.240649        1.5488
BFGS:    1 15:45:14      -13.340915        1.4722
BFGS:    2 15:45:14      -13.549436        1.3125
BFGS:    3 15:45:14      -13.736355        1.1874
BFGS:    4 15:45:14      -13.907921        1.1090
BFGS:    5 15:45:14      -14.071939        1.0875
BFGS:    6 15:45:14      -14.237021        1.1230
BFGS:    7 15:45:14      -14.411639        1.2144
BFGS:    8 15:45:14      -14.604047        1.3599
BFGS:    9 15:45:14      -14.822054        1.5514
BFGS:   10 15:45:15      -15.067012        1.6994
BFGS:   11 15:45:15      -15.327132        1.7525
BFGS:   12 15:45:15      -15.582070        1.5943
BFGS:   13 15:45:15      -15.789521        1.1190
BFGS:   14 15:45:15      -15.902501        0.3354
BFGS:   15 15:45:15      -15.908956        0.1700
BFGS:   16 15:45:15      -15.910489        0.0239
BFGS:   17 15:45:15      -15.910523        0.0013
BFGS:   18 15:45:15      -15.910523        0.0000
BFGS:   19 15:45:15      -15.910523        0.0000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0417536416984244e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.5201924901857975, -1.568584496894074e-32, -5.553411764144246e-33], [-1.528261668497965e-32, 3.5201924901857975, 3.197440081070593e-17], [-3.9738250420979136e-33, 3.1974400810705926e-17, 3.5201924901857975]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.04175364e-10  4.04175364e-10  4.04175364e-10  9.06659578e-28
  1.32625298e-33 -7.13600211e-50]
energy per atom =  -3.977630750017175
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0