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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 12:20:33      -15.481996         1.853590
BFGS:    1 12:20:33      -15.630488         1.869756
BFGS:    2 12:20:33      -15.898281         1.650520
BFGS:    3 12:20:33      -16.114570         1.210869
BFGS:    4 12:20:33      -16.258586         0.706562
BFGS:    5 12:20:33      -16.327200         0.211938
BFGS:    6 12:20:33      -16.334241         0.008285
BFGS:    7 12:20:33      -16.334252         0.000141
BFGS:    8 12:20:33      -16.334252         0.000000
BFGS:    9 12:20:33      -16.334252         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.664855476187054e-13 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([[3.568994408434814, -9.940284917072438e-33, -1.3581405869399577e-33], [-1.3692496329328253e-32, 3.568994408434814, -1.937010631714202e-17], [-5.244755185049329e-33, -1.937010631714201e-17, 3.568994408434814]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.66485548e-13  1.66485548e-13  1.66485548e-13  5.12007181e-30
  2.01598589e-35 -5.03927088e-52]
energy per atom =  -4.083563047459672
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0