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 10:50:53     -265.224825        1.1272
BFGS:    1 10:50:53     -265.269902        0.7377
BFGS:    2 10:50:53     -265.302826        0.0231
BFGS:    3 10:50:53     -265.302857        0.0005
BFGS:    4 10:50:53     -265.302857        0.0000
BFGS:    5 10:50:53     -265.302857        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.073625701753959e-29 eV/Angstrom
Maximum stress component: 3.2137450424555684e-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 =  [[0.00000000e+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 1.11476205e-36]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.11476205e-36]
 [6.33668859e-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([[5.398937911731015, 1.1414874095320269e-33, 2.8434995299750643e-34], [-2.663600865274201e-33, 5.398937911731015, -7.406385089855091e-20], [4.3480137915006746e-33, -7.406385089853332e-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]
 [-7.09835175e-31 -9.67150426e-30  4.23682870e-30]
 [-4.04827873e-31  4.92448152e-30  1.23112038e-30]
 [-1.04811600e-30 -1.07362570e-29 -1.86331733e-30]
 [-1.77458794e-30  5.52340495e-30 -3.63790527e-30]
 [-1.77458794e-31 -7.18708114e-30 -2.30696432e-30]
 [ 4.60283746e-31  6.56597537e-30 -3.46044648e-30]
 [-2.66188191e-31  7.16489879e-30  7.26471937e-31]
 [-1.30251982e-30 -7.63072813e-30  3.00501512e-30]]
stress =  [-3.21374504e-13 -3.21374504e-13 -3.21374504e-13 -9.96100472e-29
 -8.45733998e-34 -1.29493508e-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