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 16:14:59      -84.992425         1.287709
BFGS:    1 16:14:59      -85.062373         1.247279
BFGS:    2 16:14:59      -85.241335         1.139351
BFGS:    3 16:14:59      -85.404319         1.034238
BFGS:    4 16:14:59      -85.551744         0.931882
BFGS:    5 16:14:59      -85.684019         0.832223
BFGS:    6 16:14:59      -85.801543         0.735204
BFGS:    7 16:14:59      -85.904709         0.640768
BFGS:    8 16:14:59      -85.993900         0.548860
BFGS:    9 16:14:59      -86.069491         0.459426
BFGS:   10 16:14:59      -86.131849         0.372413
BFGS:   11 16:14:59      -86.181333         0.287767
BFGS:   12 16:14:59      -86.218295         0.205438
BFGS:   13 16:14:59      -86.243078         0.125376
BFGS:   14 16:14:59      -86.256018         0.047531
BFGS:   15 16:14:59      -86.258238         0.001070
BFGS:   16 16:14:59      -86.258239         0.000009
BFGS:   17 16:14:59      -86.258239         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.114798505874092e-30 eV/Angstrom
Maximum stress component: 1.5002577156772093e-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 0.00000000e+00 2.85274614e-33]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 1.13569914e-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([[6.783239976503165, -3.0096915874486453e-33, -2.1094245313713436e-32], [1.2338495835997875e-33, 6.783239976503165, 2.4903912225864685e-17], [4.919546897388042e-33, 2.4903912225864654e-17, 6.783239976503165]])
forces =  [[-2.22959701e-31 -1.11479851e-31 -2.78699626e-31]
 [ 4.18049440e-31  1.11479851e-30 -7.24619029e-31]
 [-2.92634608e-31 -1.39349813e-31 -1.81154757e-31]
 [-7.24619029e-31 -1.67219776e-31 -3.90179477e-31]
 [ 4.39822848e-31  1.58510413e-31  1.35310396e-31]
 [ 4.44809635e-64  2.22959701e-31  5.57399253e-31]
 [ 2.78699626e-32  5.29529290e-31 -3.06569589e-31]
 [-1.65477903e-31 -2.32540001e-31 -8.01261426e-32]
 [-6.13139178e-31  2.78699626e-31  2.22959701e-31]
 [-1.67219776e-31  1.39349813e-31  6.41009141e-31]
 [ 2.50829664e-31 -2.22959701e-31  5.01659328e-31]
 [-3.34439552e-31 -1.11479851e-31 -3.06569589e-31]
 [-1.67219776e-31 -2.22959701e-31 -1.95089739e-31]
 [-6.54508654e-31  6.28816032e-31  2.64764645e-31]
 [ 5.70959902e-64 -8.36098879e-32  8.08228917e-31]
 [-1.67219776e-31 -3.06569589e-31 -1.11479851e-31]
 [ 2.26443447e-32 -1.21931087e-32 -2.43862173e-32]
 [-7.83842699e-32 -3.83211986e-32 -2.09024720e-32]
 [ 6.61911613e-32  3.83211986e-32 -2.09024720e-32]
 [-4.00630713e-32 -6.96749066e-33 -6.96749066e-33]
 [ 7.14167793e-32  1.87251312e-32  3.30955806e-32]
 [-2.35152810e-32  6.88039703e-32  3.13537080e-32]
 [ 2.83054308e-32 -4.37645507e-32  2.61280900e-32]
 [-2.61280900e-32  1.03641424e-31  1.91605993e-32]]
stress =  [-1.50025772e-10 -1.50025772e-10 -1.50025772e-10  6.49556164e-26
  1.36498875e-59 -5.81040447e-60]
energy per atom =  -3.5940932955186127
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0