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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:35:27     -235.852855         5.638578
BFGS:    1 16:35:27     -236.637999         4.820261
BFGS:    2 16:35:27     -237.295927         3.941806
BFGS:    3 16:35:27     -237.820120         3.024208
BFGS:    4 16:35:27     -238.198951         2.015332
BFGS:    5 16:35:27     -238.421159         0.935232
BFGS:    6 16:35:27     -238.478577         0.060712
BFGS:    7 16:35:27     -238.478811         0.001668
BFGS:    8 16:35:27     -238.478811         0.000003
BFGS:    9 16:35:27     -238.478811         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.347909214705745e-30 eV/Angstrom
Maximum stress component: 1.1761706143840459e-11 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 1.09019775e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.17648313e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 8.17648313e-34]
 [0.00000000e+00 8.17648313e-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([[5.653080662712967, 4.282618107928847e-33, -1.3899395852750277e-32], [1.0199670630050488e-32, 5.653080662712967, 2.050556428779075e-17], [6.379497914716717e-32, 2.0505564287790672e-17, 5.653080662712967]])
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]
 [-4.87757192e-31 -1.78844304e-30  2.85686355e-30]
 [ 6.88086039e-31  1.52714454e-30  4.63369333e-30]
 [-5.45823525e-31 -1.78844304e-30 -5.20274338e-30]
 [ 4.87757192e-31  1.31229911e-30 -3.08912888e-30]
 [-4.18077593e-31 -1.39359198e-30 -4.97047805e-30]
 [ 1.68392364e-31  2.11651782e-30 -3.48397994e-30]
 [-6.50342923e-31  2.16877752e-30  5.34790921e-30]
 [-5.22596992e-32 -1.39359198e-30  3.86721774e-30]]
stress =  [-1.17617061e-11 -1.17617061e-11 -1.17617061e-11 -5.08823634e-27
  1.02853441e-33  1.52868341e-49]
energy per atom =  -14.904925680704098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0