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 13:58:06     -416.317245         0.953426
BFGS:    1 13:58:07     -416.354841         0.893239
BFGS:    2 13:58:07     -416.471972         0.667454
BFGS:    3 13:58:07     -416.554581         0.433894
BFGS:    4 13:58:07     -416.601643         0.192348
BFGS:    5 13:58:07     -416.612906         0.005902
BFGS:    6 13:58:07     -416.612978         0.000079
BFGS:    7 13:58:07     -416.612989         0.000000
BFGS:    8 13:58:07     -416.612990         0.000000
BFGS:    9 13:58:08     -416.612990         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.0468733621107318e-29 eV/Angstrom
Maximum stress component: 2.4520625697083287e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.26749936e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[5.398249406817412, 2.3981028408832056e-32, -2.0210194210275794e-32], [1.9440750198175502e-32, 5.398249406817412, 7.78402518987042e-18], [2.2922765021168453e-32, 7.784025189870376e-18, 5.398249406817412]])
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]
 [ 1.46384835e-30 -2.52846532e-30  6.14208101e-30]
 [-1.81872067e-30 -1.25314290e-30 -2.83343373e-30]
 [ 1.34532653e-30 -3.99231367e-30 -9.40411664e-30]
 [-1.95179779e-30 -1.50959361e-30 -2.79461957e-30]
 [ 3.90359559e-30  2.21795204e-31  3.41564614e-30]
 [ 5.32308489e-30  4.35273088e-31 -1.04687336e-29]
 [ 5.10128969e-30  2.50351336e-30  7.38162163e-30]
 [ 2.88333765e-30 -3.99231367e-31  1.72445771e-30]]
stress =  [-2.45206257e-10 -2.45206257e-10 -2.45206257e-10  3.75267499e-27
 -4.22974873e-34  1.13855608e-50]
energy per atom =  -34.71774913296364
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0