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 14:25:33      -67.128411        66.286007
BFGS:    1 14:25:33      -73.833521        48.910067
BFGS:    2 14:25:33      -78.793872        34.579975
BFGS:    3 14:25:33      -81.964631        23.457769
BFGS:    4 14:25:33      -84.092943        14.150778
BFGS:    5 14:25:33      -85.192555         6.841534
BFGS:    6 14:25:33      -85.582447         1.315461
BFGS:    7 14:25:33      -85.596939         0.141063
BFGS:    8 14:25:33      -85.597102         0.004194
BFGS:    9 14:25:33      -85.597102         0.000102
BFGS:   10 14:25:33      -85.597102         0.000014
BFGS:   11 14:25:33      -85.597102         0.000000
BFGS:   12 14:25:33      -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.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[3.9678620062420444, 8.928674887761552e-18, -4.285080875597375e-35], [-1.9839310031210222, 3.4362692961167003, -2.3206749896248863e-34], [-7.365601678175474e-35, -4.924946370021287e-34, 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 -1.96551992e-65]]
stress =  [1.91050487e-11 1.91050487e-11 5.54320380e-11 2.95216239e-33
 1.70418155e-44 3.60506682e-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