element(s):
['Cr', 'Fe']
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:
['6.0773']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:34     -156.484257         5.530064
BFGS:    1 12:16:34     -157.281636         5.096106
BFGS:    2 12:16:34     -158.011377         4.627908
BFGS:    3 12:16:34     -158.668195         4.123442
BFGS:    4 12:16:34     -159.246489         3.580565
BFGS:    5 12:16:34     -159.740331         2.997012
BFGS:    6 12:16:34     -160.143440         2.370387
BFGS:    7 12:16:34     -160.450129         1.719555
BFGS:    8 12:16:34     -160.654681         0.999530
BFGS:    9 12:16:34     -160.747433         0.228406
BFGS:   10 12:16:34     -160.752298         0.010244
BFGS:   11 12:16:34     -160.752307         0.000099
BFGS:   12 12:16:34     -160.752307         0.000000
BFGS:   13 12:16:34     -160.752307         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.3857183375926584e-29 eV/Angstrom
Maximum stress component: 1.065040993393944e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.08704395e-50 0.00000000e+00]
 [1.15951355e-49 5.00000000e-01 0.00000000e+00]
 [1.44939194e-50 0.00000000e+00 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([[5.90098981975576, -3.7742738009186288e-34, 5.7023708099198e-34], [-7.812632115729761e-33, 5.90098981975576, -1.5478306568459621e-18], [-8.265278579505445e-34, -1.5478306568459614e-18, 5.90098981975576]])
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]
 [-6.98259026e-30 -1.06678462e-29 -3.85497170e-30]
 [ 6.00975542e-30  9.33436545e-30 -2.11902218e-29]
 [-6.78862942e-31 -7.17655110e-30  4.07317765e-30]
 [ 6.40070774e-30  8.61913485e-30  6.98259026e-30]
 [-1.93960840e-30 -1.14436896e-29  2.38571834e-29]
 [ 4.46716061e-30  5.53394523e-30  9.50408118e-30]
 [ 7.37051194e-30  8.77066675e-30 -6.28554349e-30]
 [ 3.75799128e-30 -1.26074546e-29 -1.05375288e-29]]
stress =  [-1.06504099e-14 -1.06504099e-14 -1.06504099e-14  9.18774867e-33
 -1.48335735e-63  2.98999480e-63]
energy per atom =  -10.047019202839284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0