element(s):
['Fe', '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:
['5.6652']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:18:38     -226.621155         6.092495
BFGS:    1 12:18:38     -227.479841         5.347645
BFGS:    2 12:18:38     -228.222667         4.547169
BFGS:    3 12:18:38     -228.841048         3.687816
BFGS:    4 12:18:38     -229.325897         2.766154
BFGS:    5 12:18:38     -229.671634         1.816115
BFGS:    6 12:18:38     -229.866643         0.778425
BFGS:    7 12:18:38     -229.907346         0.062028
BFGS:    8 12:18:38     -229.907598         0.001458
BFGS:    9 12:18:39     -229.907598         0.000003
BFGS:   10 12:18:39     -229.907598         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.1513066573267905e-29 eV/Angstrom
Maximum stress component: 1.0350870767943705e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', '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 6.94447405e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.77778962e-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 2.08334221e-34]
 [6.16793199e-49 6.94447405e-35 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([[5.546654594105678, 3.081350584483882e-32, 6.803800099627592e-33], [2.0702620571807517e-32, 5.546654594105678, -3.6574056427334745e-18], [-6.181502591821838e-33, -3.657405642733464e-18, 5.546654594105678]])
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]
 [ 1.05742192e-29  1.51320723e-29  9.68543781e-30]
 [-3.02527499e-30 -1.15769468e-29  2.62076553e-31]
 [ 9.75950292e-30  1.40381875e-29 -1.38558734e-29]
 [-3.82859659e-30 -1.14359383e-29 -9.48033442e-30]
 [-3.46396835e-30  1.25796745e-29 -1.09388474e-30]
 [-3.92545097e-30 -2.15130666e-29 -2.37008361e-30]
 [-3.28165422e-30 -1.62031677e-29  9.57149148e-31]
 [ 3.58361199e-30  1.22150463e-29  8.90775413e-30]]
stress =  [-1.03508708e-11 -1.03508708e-11 -1.03508708e-11 -3.61574785e-30
 -1.06838295e-33  1.33228343e-51]
energy per atom =  -14.36922486095844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0