element(s):
['Al', 'Cr', 'Ni']
AFLOW prototype label:
ABC2_cF16_225_a_b_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7292']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cr', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7292, 0, 0], [0, 5.7292, 0], [0, 0, 5.7292]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:08:08     -250.814953        6.1826
BFGS:    1 11:08:08     -251.679912        5.3477
BFGS:    2 11:08:08     -252.413745        4.4258
BFGS:    3 11:08:08     -253.004313        3.4369
BFGS:    4 11:08:08     -253.441267        2.3770
BFGS:    5 11:08:08     -253.713660        1.2420
BFGS:    6 11:08:08     -253.809908        0.0277
BFGS:    7 11:08:08     -253.809954        0.0010
BFGS:    8 11:08:08     -253.809954        0.0000
BFGS:    9 11:08:08     -253.809954        0.0000
Minimization converged after 9 steps.
Maximum force component: 4.688548979521725e-30 eV/Angstrom
Maximum stress component: 1.601675432018604e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Cr', 'Cr', 'Cr', 'Cr', '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 2.74086256e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.66010735e-67 1.37043128e-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([[5.621383498489222, -1.9573770870715658e-32, -2.014074445053054e-32], [-2.731914993047537e-32, 5.621383498489222, -8.987496900743268e-18], [8.116612020558716e-33, -8.98749690074328e-18, 5.621383498489222]])
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]
 [ 9.46948316e-31 -1.21255577e-30  3.78779326e-30]
 [ 1.02778537e-30  3.92637107e-31 -1.47816323e-30]
 [ 1.06242982e-30 -4.85022308e-31  1.50125953e-30]
 [ 1.63983733e-30  2.07866704e-31  3.36051171e-30]
 [-2.19414854e-31 -1.77841513e-30  7.39081613e-31]
 [-7.91048288e-31  8.08370514e-31 -4.68854898e-30]
 [-1.13171872e-30  4.38829707e-31  1.01623722e-30]
 [-8.09814032e-31 -1.73222253e-30 -9.41174241e-31]]
stress =  [ 1.60167543e-12  1.60167543e-12  1.60167543e-12  3.25284364e-28
 -1.04016626e-33 -1.50877438e-49]
energy per atom =  -15.863122114946552
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0