element(s):
['Ce', 'O']
AFLOW prototype label:
AB2_cF12_225_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4908']
model name:
Sim_LAMMPS_Buckingham_ArimaYamasakiTorikai_2005_CeO__SM_328512278696_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce', 'O']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.4908, 0, 0], [0, 5.4908, 0], [0, 0, 5.4908]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:14:32     -416.317245        0.9534
BFGS:    1 17:14:32     -416.354841        0.8932
BFGS:    2 17:14:32     -416.471972        0.6675
BFGS:    3 17:14:32     -416.554581        0.4339
BFGS:    4 17:14:32     -416.601643        0.1923
BFGS:    5 17:14:32     -416.612906        0.0059
BFGS:    6 17:14:32     -416.612978        0.0001
BFGS:    7 17:14:32     -416.612989        0.0000
BFGS:    8 17:14:32     -416.612990        0.0000
BFGS:    9 17:14:32     -416.612990        0.0000
Minimization converged after 9 steps.
Maximum force component: 7.762832134295678e-30 eV/Angstrom
Maximum stress component: 2.4520948389859837e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [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([[5.398249406817409, 2.046693974596797e-32, 1.470494584199414e-32], [3.1412541150990343e-32, 5.398249406817409, -1.1923235195921514e-17], [4.365145275250383e-33, -1.1923235195921505e-17, 5.398249406817409]])
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]
 [-5.76667530e-31 -7.76283213e-30  3.04413917e-30]
 [-1.77436163e-31  6.20472083e-30 -3.99785855e-30]
 [-1.86307971e-30 -5.45616201e-30 -1.68564355e-30]
 [-1.10897602e-30  6.48196483e-30  7.49667789e-30]
 [-1.15333506e-30 -7.71847309e-30  5.76667530e-30]
 [ 2.08487492e-30  6.41542627e-30 -7.67411405e-30]
 [ 6.21026571e-31  4.64106464e-30  2.55064484e-30]
 [-3.99231367e-31 -4.52462216e-30 -4.49135288e-30]]
stress =  [-2.45209484e-10 -2.45209484e-10 -2.45209484e-10 -1.25379495e-26
  1.55090787e-32  2.10795305e-48]
energy per atom =  -34.71774913296348
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0