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_NiCr__MO_880803040302_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 09:16:07      -65.895735         0.019149
BFGS:    1 09:16:07      -65.895751         0.018421
BFGS:    2 09:16:07      -65.895941         0.000057
BFGS:    3 09:16:07      -65.895941         0.000000
BFGS:    4 09:16:08      -65.895941         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.1333943996419435e-30 eV/Angstrom
Maximum stress component: 1.3412064822898716e-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 =  [[0.00000000e+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 0.00000000e+00]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.43037501e-56 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.702442035602549, -1.3717387173297224e-39, 2.03313367927377e-34], [-3.1072019096953716e-33, 5.702442035602549, 5.346108566784508e-23], [4.708351852519018e-34, 5.346108566789011e-23, 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]
 [ 3.16296112e-31  7.32166925e-31  8.49313633e-32]
 [ 7.32166925e-32 -1.08946438e-30  7.90740279e-32]
 [ 1.43504717e-31  1.00160435e-30  4.33442820e-31]
 [ 5.85733540e-33 -8.81528977e-31  7.02880248e-32]
 [-3.33868118e-31  8.84457645e-31 -3.63154795e-31]
 [-1.52290720e-31 -1.13339440e-30  1.87434733e-31]
 [ 2.34293416e-31 -9.10815654e-31 -8.75671642e-31]
 [-2.51865422e-31  9.54745670e-31 -5.62304198e-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 -2.15101392e-29
 -6.31753200e-35  7.46671182e-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