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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 01:23:42     -183.488723       22.7086
BFGS:    1 01:23:42     -186.732303       20.5726
BFGS:    2 01:23:42     -189.663223       18.5258
BFGS:    3 01:23:42     -192.295715       16.5925
BFGS:    4 01:23:42     -194.646363       14.7669
BFGS:    5 01:23:42     -196.730901       13.0435
BFGS:    6 01:23:42     -198.564263       11.4171
BFGS:    7 01:23:42     -200.160617        9.8826
BFGS:    8 01:23:42     -201.533407        8.4354
BFGS:    9 01:23:42     -202.695391        7.0711
BFGS:   10 01:23:42     -203.658675        5.7854
BFGS:   11 01:23:42     -204.434744        4.5743
BFGS:   12 01:23:43     -205.034499        3.4339
BFGS:   13 01:23:43     -205.468281        2.3607
BFGS:   14 01:23:43     -205.745903        1.3512
BFGS:   15 01:23:43     -205.876675        0.4022
BFGS:   16 01:23:43     -205.890818        0.0345
BFGS:   17 01:23:43     -205.890918        0.0011
BFGS:   18 01:23:43     -205.890918        0.0000
BFGS:   19 01:23:43     -205.890918        0.0000
Minimization converged after 19 steps.
Maximum force component: 6.2414057989266336e-30 eV/Angstrom
Maximum stress component: 3.982108871715511e-12 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 6.44052073e-35 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 5.72033153e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.44052073e-35]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.980665303138745, 4.5209940320037554e-33, -2.8694460860974195e-32], [7.972148032290756e-33, 5.980665303138745, 3.830367691784317e-18], [2.848416232030954e-32, 3.8303676917842646e-18, 5.980665303138745]])
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]
 [-9.82898551e-32  6.19226087e-30 -3.17599094e-30]
 [ 5.98953805e-32 -3.16524049e-30 -1.90974117e-30]
 [-3.53229167e-32  6.24140580e-30  3.99736115e-48]
 [ 4.91449276e-32 -4.17079178e-30  1.76921739e-30]
 [-1.86750725e-30  3.34185507e-30  1.37605797e-30]
 [-1.83357613e-31 -4.85613315e-30  1.86750725e-30]
 [ 9.82898551e-32 -4.39539946e-30  1.47895516e-30]
 [-2.06562274e-31  3.93159420e-30 -2.07906080e-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 =  [-3.98210887e-12 -3.98210887e-12 -3.98210887e-12  2.69208690e-29
 -1.83789286e-33  3.95692010e-51]
energy per atom =  -12.86818238975177
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0