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 16:39:07      -67.366406         0.833898
BFGS:    1 16:39:07      -67.395807         0.811406
BFGS:    2 16:39:07      -67.510302         0.714526
BFGS:    3 16:39:07      -67.609959         0.613546
BFGS:    4 16:39:07      -67.694154         0.508334
BFGS:    5 16:39:07      -67.762241         0.398755
BFGS:    6 16:39:07      -67.813555         0.284669
BFGS:    7 16:39:07      -67.847409         0.165932
BFGS:    8 16:39:07      -67.863095         0.042397
BFGS:    9 16:39:07      -67.864160         0.001134
BFGS:   10 16:39:08      -67.864160         0.000007
BFGS:   11 16:39:08      -67.864160         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.8044192137575529e-32 eV/Angstrom
Maximum stress component: 1.135993451468712e-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 2.74083105e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.11124657e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 2.43434699e-49]
 [0.00000000e+00 5.00000000e-01 4.11124657e-34]
 [0.00000000e+00 4.11124657e-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([[5.621448129043935, -3.5229573128553575e-33, -1.51630249531206e-32], [-5.1943315780087474e-33, 5.621448129043935, -1.1415546486305135e-17], [2.840673903115525e-32, -1.1415546486305175e-17, 5.621448129043935]])
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]
 [ 2.88707074e-33  5.77414148e-33  2.52618690e-33]
 [ 7.21767686e-34 -5.05237380e-33 -1.58788891e-32]
 [ 1.98486114e-33  1.01047476e-32  7.21767686e-34]
 [-1.44353537e-33 -4.33060611e-33  9.38297991e-33]
 [ 7.21767686e-34 -4.76353428e-51  2.34574498e-33]
 [ 1.02520090e-64 -1.22700507e-32  1.80441921e-32]
 [-7.21767686e-34 -1.29918183e-32 -1.35331441e-33]
 [ 6.49590917e-33  3.44440171e-50 -1.69615406e-32]]
stress =  [1.13599345e-10 1.13599345e-10 1.13599345e-10 7.84813805e-26
 1.16914328e-57 5.45830846e-60]
energy per atom =  -4.241510025277053
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0