element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 23:13:30      -67.366406         0.833898
BFGS:    1 23:13:31      -67.395807         0.811406
BFGS:    2 23:13:31      -67.510302         0.714526
BFGS:    3 23:13:32      -67.609959         0.613546
BFGS:    4 23:13:32      -67.694154         0.508334
BFGS:    5 23:13:33      -67.762241         0.398755
BFGS:    6 23:13:33      -67.813555         0.284669
BFGS:    7 23:13:34      -67.847409         0.165932
BFGS:    8 23:13:35      -67.863095         0.042397
BFGS:    9 23:13:35      -67.864160         0.001134
BFGS:   10 23:13:36      -67.864160         0.000007
BFGS:   11 23:13:36      -67.864160         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.3626973902297041e-30 eV/Angstrom
Maximum stress component: 1.1359970805149586e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.85207761e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [9.73738795e-49 1.37041552e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.6214481290439355, 6.343729597791032e-34, 4.376960164368567e-32], [2.057670720569583e-32, 5.6214481290439355, 4.167515507544287e-18], [3.8273641387527234e-32, 4.1675155075443095e-18, 5.6214481290439355]])
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]
 [ 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]
 [ 4.61931319e-32 -2.47478906e-50 -3.33817555e-32]
 [ 1.70698058e-31  3.21186620e-31 -7.25376524e-31]
 [-1.90907553e-31  2.19417376e-31 -2.30965659e-32]
 [ 3.46448489e-32  3.11984082e-31  5.77414148e-31]
 [ 2.42513942e-31 -8.08379808e-31  1.36269739e-30]
 [-2.01373184e-31  5.10456099e-31  4.04189904e-31]
 [-2.88707074e-31  4.07076975e-31  7.97553292e-32]
 [ 1.82968108e-31 -7.73734959e-31 -7.05708355e-31]]
stress =  [ 1.13599708e-10  1.13599708e-10  1.13599708e-10 -3.05791270e-26
  5.20071172e-34 -7.26945720e-50]
energy per atom =  -4.241510025277055
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0