element(s):
['Ce', 'H']
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:
['5.4144']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce', 'H', 'H']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.4144, 0, 0], [0, 5.4144, 0], [0, 0, 5.4144]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:16:09     -265.224825         1.127186
BFGS:    1 13:16:10     -265.269902         0.737697
BFGS:    2 13:16:11     -265.302826         0.023136
BFGS:    3 13:16:12     -265.302857         0.000454
BFGS:    4 13:16:13     -265.302857         0.000000
BFGS:    5 13:16:14     -265.302857         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.494045461791207e-30 eV/Angstrom
Maximum stress component: 3.2137240204122305e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[5.398937911731015, 3.9955890801313427e-32, 1.8111784726446993e-32], [3.462856032996266e-32, 5.398937911731015, -8.036235478308178e-20], [2.1656763764079253e-32, -8.036235478310005e-20, 5.398937911731015]])
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]
 [-3.54917587e-31 -9.49404546e-30  4.41428749e-30]
 [-2.00195702e-30  3.33844356e-30  8.98385143e-31]
 [-8.70657206e-31 -9.05039848e-30 -2.21823492e-30]
 [-5.32376381e-31  4.03718756e-30 -3.46044648e-30]
 [-1.77458794e-31 -7.45326933e-30 -3.37171708e-30]
 [ 2.82824952e-31  6.14451073e-30 -3.28298768e-30]
 [-4.43646984e-31  4.07046108e-30  9.26113080e-31]
 [ 2.94609325e-31 -8.87293968e-30  5.66828342e-30]]
stress =  [-3.21372402e-13 -3.21372402e-13 -3.21372402e-13  3.14752406e-30
 -4.22866999e-33 -6.99505298e-49]
energy per atom =  -16.581428582683095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0