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 16:14:47      -84.245018         0.451606
BFGS:    1 16:14:47      -84.253689         0.444404
BFGS:    2 16:14:47      -84.316045         0.386331
BFGS:    3 16:14:47      -84.369383         0.324112
BFGS:    4 16:14:47      -84.413042         0.257211
BFGS:    5 16:14:47      -84.446304         0.185453
BFGS:    6 16:14:47      -84.468430         0.108719
BFGS:    7 16:14:47      -84.478716         0.027829
BFGS:    8 16:14:47      -84.479414         0.000839
BFGS:    9 16:14:47      -84.479415         0.000006
BFGS:   10 16:14:47      -84.479415         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.2708510132166816e-31 eV/Angstrom
Maximum stress component: 1.1435994671594413e-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 1.31807960e-33 8.82448247e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 8.88569146e-34]
 [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, 2.229129976737658e-33, -1.1844844886608049e-32], [-1.0001391688648817e-32, 6.5023525269075035, 6.309151962298843e-18], [-2.1566387745923388e-32, 6.309151962298851e-18, 6.5023525269075035]])
forces =  [[-6.01107621e-32 -3.24026258e-50 -3.33948678e-32]
 [-2.27085101e-31 -1.63634852e-31 -1.33579471e-32]
 [-2.67158943e-32  1.06863577e-31 -1.06863577e-31]
 [-6.42851206e-32 -2.67158943e-32 -2.67158943e-32]
 [-4.00738414e-32  8.68266564e-32  1.78662543e-31]
 [-1.20221524e-31  1.60295366e-31  2.67158943e-32]
 [ 1.06863577e-31  5.34317885e-32  1.20221524e-31]
 [-6.67897357e-32 -1.33579471e-32  3.08902528e-32]
 [-1.06863577e-31  8.68266564e-32  6.01107621e-32]
 [ 4.67528150e-32  1.60295366e-31  1.55532604e-49]
 [ 2.00369207e-31  6.67897357e-32  1.20221524e-31]
 [ 1.33579471e-32  1.06863577e-31 -1.73653313e-31]
 [-5.67712753e-32 -1.94415755e-50 -2.00369207e-32]
 [ 2.00369207e-32  2.03708694e-31 -5.34317885e-32]
 [ 1.33579471e-32 -5.57276857e-32 -8.01476828e-32]
 [-5.34317885e-32  1.94415755e-50  2.00369207e-32]
 [ 4.00738414e-32 -2.00369207e-32  6.67897357e-33]
 [ 6.67897357e-33 -3.67343546e-32  5.34317885e-32]
 [-5.34317885e-32 -1.66974339e-32 -2.83856377e-32]
 [-3.33948678e-32 -2.00369207e-32  1.33579471e-32]
 [ 8.01476828e-32  1.33579471e-32 -6.67897357e-33]
 [ 1.58625622e-32  4.00738414e-32  1.00184604e-32]
 [ 1.33579471e-32  4.59179433e-32 -4.00738414e-32]
 [ 3.33948678e-32  4.21610206e-32  3.00553811e-32]]
stress =  [1.14359947e-10 1.14359947e-10 1.14359947e-10 4.95620153e-26
 2.42939532e-34 7.08927980e-50]
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