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:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== 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 22:06:01      -84.992425         1.287709
BFGS:    1 22:06:01      -85.062373         1.247279
BFGS:    2 22:06:01      -85.241335         1.139351
BFGS:    3 22:06:01      -85.404319         1.034238
BFGS:    4 22:06:01      -85.551744         0.931882
BFGS:    5 22:06:01      -85.684019         0.832223
BFGS:    6 22:06:01      -85.801543         0.735204
BFGS:    7 22:06:01      -85.904709         0.640768
BFGS:    8 22:06:01      -85.993900         0.548860
BFGS:    9 22:06:02      -86.069491         0.459426
BFGS:   10 22:06:02      -86.131849         0.372413
BFGS:   11 22:06:02      -86.181333         0.287767
BFGS:   12 22:06:02      -86.218295         0.205438
BFGS:   13 22:06:02      -86.243078         0.125376
BFGS:   14 22:06:02      -86.256018         0.047531
BFGS:   15 22:06:02      -86.258238         0.001070
BFGS:   16 22:06:02      -86.258239         0.000009
BFGS:   17 22:06:02      -86.258239         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.0033186552866826e-30 eV/Angstrom
Maximum stress component: 1.5002644884363154e-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 7.70262067e-34 5.12262867e-33]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.56845516e-34 5.00000000e-01 3.57745228e-33]
 [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([[6.783239976503163, 3.7002039956847904e-32, -7.3950303887183e-33], [-4.932124327671672e-33, 6.783239976503163, 5.741260871263692e-18], [-5.6195779255693815e-33, 5.741260871263674e-18, 6.783239976503163]])
forces =  [[-1.67219776e-31  1.67219776e-31  3.62309514e-31]
 [ 1.39349813e-31  3.90179477e-31 -9.33643749e-31]
 [ 2.99602098e-31  3.03085844e-31  1.37607941e-31]
 [ 3.90179477e-31  2.78699626e-32  5.85269216e-31]
 [-3.55342024e-31 -8.11712662e-31  1.93347866e-31]
 [-2.50829664e-31  3.34439552e-31 -2.78699626e-32]
 [ 1.95089739e-31  1.39349813e-31  1.39349813e-31]
 [-8.01261426e-32  1.74187267e-31  5.67850489e-31]
 [-3.34439552e-31 -1.95089739e-31 -5.57399253e-32]
 [-2.78699626e-31  1.67219776e-31 -5.57399253e-32]
 [-5.57399253e-32  1.39349813e-31  1.67219776e-31]
 [-1.39349813e-31  3.34439552e-31  3.48374533e-31]
 [-1.11479851e-31  2.22959701e-31  3.76244496e-31]
 [ 3.83211986e-32  9.64997457e-31 -2.76957754e-31]
 [-1.00331866e-30 -2.78699626e-32  1.95089739e-31]
 [-2.78699626e-32  2.78699626e-31  3.34439552e-31]
 [ 4.52886893e-32 -1.32382323e-31  2.96118353e-32]
 [-6.96749066e-33  6.96749066e-33 -2.43862173e-32]
 [ 5.92236706e-32 -2.61280900e-32 -1.04512360e-32]
 [-4.52886893e-32  5.05143073e-32 -4.87724346e-32]
 [ 5.22561800e-32 -8.18680153e-32 -6.92922017e-50]
 [-1.04512360e-32  1.26285768e-31  3.07542687e-32]
 [ 2.43862173e-32  1.04512360e-32 -2.35152810e-32]
 [ 2.61280900e-32 -2.96118353e-32  1.65477903e-32]]
stress =  [-1.50026449e-10 -1.50026449e-10 -1.50026449e-10  1.59086782e-26
  1.11618159e-35  7.21688374e-53]
energy per atom =  -3.594093295518617
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0