element(s):
['Ce']
AFLOW prototype label:
A_hP4_194_ac
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7488', '3.2082']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce', 'Ce']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.7488, 0, 0], [-1.8744, 3.2465560337071, 0], [0, 0, 12.0269]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:10:02      -67.128411        66.286007
BFGS:    1 16:10:02      -73.833521        48.910067
BFGS:    2 16:10:02      -78.793872        34.579975
BFGS:    3 16:10:02      -81.964631        23.457769
BFGS:    4 16:10:02      -84.092943        14.150778
BFGS:    5 16:10:02      -85.192555         6.841534
BFGS:    6 16:10:02      -85.582447         1.315461
BFGS:    7 16:10:02      -85.596939         0.141063
BFGS:    8 16:10:02      -85.597102         0.004194
BFGS:    9 16:10:02      -85.597102         0.000102
BFGS:   10 16:10:02      -85.597102         0.000014
BFGS:   11 16:10:02      -85.597102         0.000000
BFGS:   12 16:10:02      -85.597102         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.803381539476697e-31 eV/Angstrom
Maximum stress component: 5.543203803898444e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.04977557e-52 3.88905013e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[3.9678620062420444, 1.4160879527674864e-17, 1.0875766160713478e-37], [-1.9839310031210222, 3.4362692961167003, 2.0984615194350194e-37], [4.850605781686634e-37, 1.9875076966671618e-35, 12.960499785543622]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.17312570e-31 -3.38842313e-31 -6.65627057e-32]
 [-8.80338154e-31  3.95316032e-31  6.26727716e-69]]
stress =  [1.91050487e-11 1.91050487e-11 5.54320380e-11 1.47608119e-33
 2.29550749e-46 3.97371743e-27]
energy per atom =  -21.399275611171575
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0