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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 13:05:27      -16.891424        1.4207
BFGS:    1 13:05:27      -16.974253        1.2994
BFGS:    2 13:05:27      -17.145897        0.9861
BFGS:    3 13:05:27      -17.268900        0.6485
BFGS:    4 13:05:27      -17.338073        0.2629
BFGS:    5 13:05:27      -17.349516        0.0469
BFGS:    6 13:05:27      -17.349853        0.0031
BFGS:    7 13:05:27      -17.349854        0.0000
BFGS:    8 13:05:27      -17.349854        0.0000
BFGS:    9 13:05:27      -17.349854        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.640982400527955e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6158464239596633, 3.7927721352187e-34, -1.5983326622490292e-32], [4.993325807821836e-33, 3.6158464239596633, 3.859827432224604e-18], [7.423339979067755e-34, 3.859827432224581e-18, 3.6158464239596633]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.64098240e-14  2.64098240e-14  2.64098240e-14 -5.27085168e-30
  2.84769066e-63 -3.47611565e-63]
energy per atom =  -4.337463618698906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0