element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:55:42      -66.753785        0.0667
BFGS:    1 13:55:43      -66.753973        0.0647
BFGS:    2 13:55:43      -66.756949        0.0006
BFGS:    3 13:55:43      -66.756949        0.0000
BFGS:    4 13:55:43      -66.756949        0.0000
Minimization converged after 4 steps.
Maximum force component: 1.7854669734489686e-31 eV/Angstrom
Maximum stress component: 4.198424582850818e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.39268550e-41]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.30258175e-52 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.39268550e-41]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.746285882597169, 8.937561136299407e-35, -5.098005250129991e-36], [-6.594715567154662e-42, 5.746285882597169, 5.205237201837062e-24], [-7.011713875624607e-34, 5.2052372025744124e-24, 5.746285882597169]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.18047403e-32  1.18047403e-32  1.18047403e-31]
 [ 1.18047403e-32  6.93528494e-32  1.68217550e-31]
 [-2.21338881e-32 -1.61735411e-55 -1.78546697e-31]
 [ 8.85355524e-33  9.14867375e-32 -8.26331822e-32]
 [ 2.36094806e-32 -8.85355524e-33 -1.06242663e-31]
 [ 3.98409986e-32 -9.00111449e-32 -1.32803329e-31]
 [ 2.95118508e-33 -5.75481091e-32 -5.90237016e-33]
 [-1.32803329e-32 -5.31213314e-32  3.98409986e-32]]
stress =  [ 4.19842458e-11  4.19842458e-11  4.19842458e-11 -9.03683405e-27
 -3.11074747e-35 -2.82283942e-52]
energy per atom =  -4.1723093319175755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0