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 09:15:51     -183.488723        22.708596
BFGS:    1 09:15:51     -186.732303        20.572557
BFGS:    2 09:15:51     -189.663223        18.525795
BFGS:    3 09:15:51     -192.295715        16.592518
BFGS:    4 09:15:51     -194.646363        14.766925
BFGS:    5 09:15:51     -196.730901        13.043511
BFGS:    6 09:15:51     -198.564263        11.417053
BFGS:    7 09:15:51     -200.160617         9.882598
BFGS:    8 09:15:51     -201.533407         8.435442
BFGS:    9 09:15:51     -202.695391         7.071126
BFGS:   10 09:15:51     -203.658675         5.785414
BFGS:   11 09:15:52     -204.434744         4.574288
BFGS:   12 09:15:52     -205.034499         3.433933
BFGS:   13 09:15:52     -205.468281         2.360729
BFGS:   14 09:15:52     -205.745903         1.351237
BFGS:   15 09:15:52     -205.876675         0.402194
BFGS:   16 09:15:52     -205.890818         0.034547
BFGS:   17 09:15:52     -205.890918         0.001097
BFGS:   18 09:15:52     -205.890918         0.000001
BFGS:   19 09:15:52     -205.890918         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.8920797106982308e-30 eV/Angstrom
Maximum stress component: 3.989420368617383e-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]
 [1.89485982e-49 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 0.00000000e+00 0.00000000e+00]
 [2.86016576e-50 5.00000000e-01 0.00000000e+00]
 [5.72033153e-50 3.22026037e-35 5.00000000e-01]]
cellpar =  Cell([[5.980665303138744, 1.8865101620896885e-32, 1.9768690386385282e-33], [2.642207916223352e-34, 5.980665303138744, 2.2973120561067504e-18], [-3.0526769007253167e-33, 2.297312056106751e-18, 5.980665303138744]])
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]
 [-2.27295290e-31 -1.01975725e-30 -5.80524457e-31]
 [-3.25009228e-31  9.05341712e-31 -1.50698313e-30]
 [-5.52880435e-32 -1.08118841e-30  1.89207971e-30]
 [-2.58010870e-31  9.95184783e-31  1.47434783e-31]
 [ 1.10576087e-31 -9.09181160e-31  1.31462681e-30]
 [ 4.60733696e-32  1.19483605e-30  4.76187472e-31]
 [-1.53577899e-32  1.25549932e-30 -1.49661662e-30]
 [-1.27469656e-31 -1.04893705e-30 -7.57522985e-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 =  [-3.98942037e-12 -3.98942037e-12 -3.98942037e-12  1.44151322e-30
 -2.29736607e-34 -3.45211969e-51]
energy per atom =  -12.868182389751777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0