element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8057']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8057, 0, 0], [0, 3.8057, 0], [0, 0, 3.8057]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:49      -15.303405         1.512178
BFGS:    1 16:43:49      -15.401123         1.502876
BFGS:    2 16:43:49      -15.624101         1.466573
BFGS:    3 16:43:49      -15.839941         1.405709
BFGS:    4 16:43:49      -16.039305         1.222800
BFGS:    5 16:43:49      -16.197780         0.860014
BFGS:    6 16:43:49      -16.288317         0.315862
BFGS:    7 16:43:49      -16.297836         0.137397
BFGS:    8 16:43:49      -16.299192         0.029319
BFGS:    9 16:43:49      -16.299265         0.002338
BFGS:   10 16:43:49      -16.299266         0.000047
BFGS:   11 16:43:49      -16.299266         0.000000
BFGS:   12 16:43:49      -16.299266         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8754276726410598e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.55221868e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5264503644068004, 5.316064499157703e-32, -2.2743693068297938e-32], [-4.8241149479808715e-32, 3.5264503644068004, -5.919701797264199e-17], [6.332189601301628e-32, -5.919701797264205e-17, 3.5264503644068004]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.87542767e-13  1.87542767e-13  1.87542767e-13  3.18636746e-29
  3.09738314e-35 -1.47190362e-51]
energy per atom =  -4.074816469850549
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0