element(s):
['Cr', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5911']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5911, 0, 0], [0, 6.5911, 0], [0, 0, 6.5911]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:51:16      -84.245018        0.4516
BFGS:    1 14:51:16      -84.253689        0.4444
BFGS:    2 14:51:16      -84.316045        0.3863
BFGS:    3 14:51:16      -84.369383        0.3241
BFGS:    4 14:51:16      -84.413042        0.2572
BFGS:    5 14:51:16      -84.446304        0.1855
BFGS:    6 14:51:16      -84.468430        0.1087
BFGS:    7 14:51:16      -84.478716        0.0278
BFGS:    8 14:51:16      -84.479414        0.0008
BFGS:    9 14:51:17      -84.479415        0.0000
BFGS:   10 14:51:17      -84.479415        0.0000
Minimization converged after 10 steps.
Maximum force component: 3.473066255507866e-31 eV/Angstrom
Maximum stress component: 1.1435994671594408e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.12548659e-33 1.67265011e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.5023525269075035, 1.597245365966184e-33, -1.1244210081823468e-32], [-1.2528930220798665e-32, 6.5023525269075035, 6.3093086650417736e-18], [-2.2577947998271424e-32, 6.309308665041784e-18, 6.5023525269075035]])
forces =  [[-1.40258445e-31 -2.00369207e-31  1.33579471e-32]
 [-1.33579471e-31 -2.10387667e-31  5.34317885e-32]
 [-8.01476828e-32  5.34317885e-32 -8.01476828e-32]
 [ 9.18358866e-33  1.60295366e-31  2.67158943e-32]
 [-1.33579471e-32  1.33579471e-32  1.00184604e-31]
 [ 4.00738414e-32 -6.01107621e-32 -1.87011260e-31]
 [ 2.67158943e-32 -1.20221524e-31  1.33579471e-32]
 [-1.20221524e-31 -1.46937419e-31  2.58810226e-32]
 [ 2.67158943e-32  9.35056300e-32  6.01107621e-32]
 [ 1.13542551e-31 -5.34317885e-32 -1.87011260e-31]
 [ 1.73653313e-31 -2.67158943e-32  2.67158943e-32]
 [ 2.67158943e-32  9.35056300e-32  1.00184604e-31]
 [-3.00553811e-32 -6.67897357e-32 -6.48068613e-50]
 [-1.93690233e-31 -1.66974339e-32  5.34317885e-32]
 [ 1.06863577e-31 -1.78453825e-31 -3.47306626e-31]
 [-1.06863577e-31 -1.73653313e-31  2.67158943e-32]
 [-4.00738414e-32 -1.26900498e-31 -3.33948678e-32]
 [-1.06863577e-31 -3.33948678e-32 -4.00738414e-32]
 [ 3.33948678e-33  1.33579471e-32 -5.51015319e-32]
 [-1.66974339e-32 -7.34687093e-32 -2.00369207e-32]
 [-2.67158943e-32  2.00369207e-32  1.94420584e-50]
 [-1.08533320e-32  6.67897357e-32  9.35056300e-32]
 [ 4.00738414e-32  3.25599961e-32 -3.67343546e-32]
 [-3.33948678e-32 -3.58994829e-32  2.67158943e-32]]
stress =  [ 1.14359947e-10  1.14359947e-10  1.14359947e-10  7.16613743e-26
 -7.94370462e-59  7.09696464e-59]
energy per atom =  -3.5199756129223716
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0