element(s):
['Fe', 'Ni']
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:
['3.7004']
model name:
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:16      -16.822483         1.822981
BFGS:    1 15:04:16      -16.956593         1.608555
BFGS:    2 15:04:16      -17.165998         1.181486
BFGS:    3 15:04:16      -17.310772         0.747867
BFGS:    4 15:04:16      -17.389704         0.300663
BFGS:    5 15:04:16      -17.403792         0.028296
BFGS:    6 15:04:16      -17.403907         0.001730
BFGS:    7 15:04:16      -17.403908         0.000010
BFGS:    8 15:04:16      -17.403908         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.068112237550937e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.508964982438152, 1.8383446205499734e-33, -1.768830135624002e-32], [8.594868640491783e-33, 3.508964982438152, -7.330747573332117e-18], [7.914288893655659e-33, -7.33074757333214e-18, 3.508964982438152]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.06811224e-10 -3.06811224e-10 -3.06811224e-10 -5.95682038e-26
 -8.34221052e-35 -1.31634811e-50]
energy per atom =  -4.3509769476058695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0