element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.705']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.705, 0, 0], [0, 5.705, 0], [0, 0, 5.705]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:24:37      -65.895735         0.019149
BFGS:    1 10:24:37      -65.895751         0.018421
BFGS:    2 10:24:37      -65.895941         0.000057
BFGS:    3 10:24:38      -65.895941         0.000000
BFGS:    4 10:24:38      -65.895941         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.8157739735865763e-30 eV/Angstrom
Maximum stress component: 1.3412064822898708e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]]
cellpar =  Cell([[5.702442035602549, -1.8012702658778108e-34, -1.7215217163059357e-34], [7.20503696594986e-34, 5.702442035602549, 6.86554214325717e-22], [5.149838527632325e-33, 6.865542143190523e-22, 5.702442035602549]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.52290720e-31  1.47604852e-30  4.30514152e-31]
 [-5.56446863e-32 -1.47165552e-30  1.33254380e-31]
 [ 1.14218040e-31  1.28861379e-30  8.14169620e-31]
 [-3.22153447e-31 -1.24468377e-30 -7.61453602e-32]
 [ 2.05006739e-31  1.81577397e-30 -4.97873509e-31]
 [-5.03730844e-31 -1.63419658e-30 -1.40576050e-31]
 [-4.92016173e-31 -1.69130560e-30 -8.28812959e-31]
 [ 5.27160186e-32  1.72791394e-30 -4.15870813e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.34120648e-13  1.34120648e-13  1.34120648e-13 -3.88930906e-29
 -3.15876600e-35  9.12479964e-51]
energy per atom =  -4.118496339492914
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0