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_NiCr__MO_880803040302_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 17:17:19      -84.992425         1.287709
BFGS:    1 17:17:20      -85.062373         1.247279
BFGS:    2 17:17:20      -85.241335         1.139351
BFGS:    3 17:17:21      -85.404319         1.034238
BFGS:    4 17:17:21      -85.551744         0.931882
BFGS:    5 17:17:22      -85.684019         0.832223
BFGS:    6 17:17:22      -85.801543         0.735204
BFGS:    7 17:17:22      -85.904709         0.640768
BFGS:    8 17:17:23      -85.993900         0.548860
BFGS:    9 17:17:24      -86.069491         0.459426
BFGS:   10 17:17:24      -86.131849         0.372413
BFGS:   11 17:17:24      -86.181333         0.287767
BFGS:   12 17:17:25      -86.218295         0.205438
BFGS:   13 17:17:25      -86.243078         0.125376
BFGS:   14 17:17:26      -86.256018         0.047531
BFGS:   15 17:17:26      -86.258238         0.001070
BFGS:   16 17:17:27      -86.258239         0.000009
BFGS:   17 17:17:28      -86.258239         0.000000
Minimization converged after 17 steps.
Maximum force component: 8.918388046992733e-31 eV/Angstrom
Maximum stress component: 1.5002629612455373e-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 0.00000000e+00]
 [0.00000000e+00 8.41836984e-33 5.00000000e-01]
 [1.08958139e-33 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([[6.783239976503164, -1.9540664290979314e-33, 9.472816795055481e-33], [5.712206891209132e-33, 6.783239976503164, -1.6673570690690604e-18], [1.420870371271309e-32, -1.6673570690690539e-18, 6.783239976503164]])
forces =  [[-1.95089739e-31 -2.22959701e-31  5.57399253e-32]
 [ 5.57399253e-32 -8.91838805e-31  1.39349813e-31]
 [ 1.11479851e-31 -1.53284795e-31  1.39349813e-31]
 [-1.67219776e-31  3.06569589e-31 -2.78699626e-31]
 [ 3.41407042e-31 -2.78699626e-32 -1.74187267e-31]
 [ 5.57399253e-32  1.02758813e-49 -4.18049440e-31]
 [-2.78699626e-32 -8.36098879e-32  2.05517626e-50]
 [-1.81154757e-31 -3.48374533e-32  9.05773786e-32]
 [ 5.57399253e-32  4.45919402e-31  1.11479851e-31]
 [ 1.67219776e-31 -5.57399253e-32 -3.62309514e-31]
 [ 1.39349813e-31  5.29529290e-31  1.39349813e-31]
 [ 1.67219776e-31 -1.67219776e-31  2.22959701e-31]
 [-1.67219776e-31  4.81714566e-65 -2.33522963e-64]
 [ 2.78699626e-32  1.39349813e-31  4.04114458e-31]
 [ 5.57399253e-32 -4.73789365e-31  5.57399253e-32]
 [-1.67219776e-31 -1.39349813e-31  5.57399253e-32]
 [-8.70936333e-33  1.74187267e-32 -5.22561800e-33]
 [ 8.70936333e-33  2.96118353e-32  1.39349813e-32]
 [ 1.13221723e-32 -5.22561800e-32 -1.13221723e-32]
 [ 2.52571536e-32 -4.70305620e-32  5.22561800e-33]
 [-1.48059177e-32  6.96204731e-32  2.52571536e-32]
 [ 9.58029966e-33 -2.35152810e-32  2.06847379e-32]
 [ 1.74187267e-33  7.83842699e-33  7.83842699e-33]
 [-1.56768540e-32 -9.58029966e-33  1.29551779e-32]]
stress =  [-1.50026296e-10 -1.50026296e-10 -1.50026296e-10 -4.24799445e-26
 -1.11618159e-35 -1.74457972e-51]
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