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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:14:45      -89.642961       92.3655
BFGS:    1 17:14:45     -102.904509       84.5458
BFGS:    2 17:14:45     -115.032982       77.2519
BFGS:    3 17:14:45     -126.104626       70.4492
BFGS:    4 17:14:46     -136.190701       64.1058
BFGS:    5 17:14:46     -145.357815       58.1916
BFGS:    6 17:14:46     -153.668232       52.6787
BFGS:    7 17:14:46     -161.180166       47.5409
BFGS:    8 17:14:46     -167.948041       42.7540
BFGS:    9 17:14:46     -174.022750       38.2950
BFGS:   10 17:14:46     -179.458171       34.1996
BFGS:   11 17:14:46     -184.294628       30.3327
BFGS:   12 17:14:46     -188.571400       26.7342
BFGS:   13 17:14:46     -192.327420       23.3866
BFGS:   14 17:14:46     -195.599105       20.2737
BFGS:   15 17:14:46     -198.420514       17.3804
BFGS:   16 17:14:46     -200.823506       14.6926
BFGS:   17 17:14:46     -202.841523       12.2491
BFGS:   18 17:14:46     -204.502908        9.9316
BFGS:   19 17:14:46     -205.829418        7.7823
BFGS:   20 17:14:46     -206.846974        5.8084
BFGS:   21 17:14:46     -207.578047        3.9629
BFGS:   22 17:14:46     -208.042726        2.2550
BFGS:   23 17:14:46     -208.260976        0.6757
BFGS:   24 17:14:46     -208.283740        0.0372
BFGS:   25 17:14:46     -208.283811        0.0007
BFGS:   26 17:14:46     -208.283811        0.0000
BFGS:   27 17:14:46     -208.283811        0.0000
Minimization converged after 27 steps.
Maximum force component: 8.518942008001416e-30 eV/Angstrom
Maximum stress component: 7.368381200555675e-13 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]
 [1.36224093e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.58591836e-35]
 [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([[6.0273722510246355, 5.36596880145409e-32, -7.50734552476434e-33], [9.152446069357587e-33, 6.0273722510246355, -3.2961966997745357e-18], [-9.093932614297145e-33, -3.2961966997745083e-18, 6.0273722510246355]])
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]
 [-1.78303437e-30  3.76418368e-30 -7.77601102e-30]
 [-9.41045919e-31 -1.36204015e-30 -3.59083311e-30]
 [ 2.19783751e-30  7.72648229e-30 -2.37737917e-30]
 [ 4.16041354e-30 -3.87562333e-30  5.94344791e-30]
 [ 1.58491944e-30  2.77360903e-30  7.92459722e-31]
 [-1.73660119e-30 -1.68397691e-30  8.51894201e-30]
 [ 2.37737917e-30 -3.47939347e-30  2.86067125e-30]
 [ 4.31596471e-30 -4.16041354e-30 -3.57690316e-30]]
stress =  [-7.36838120e-13 -7.36838120e-13 -7.36838120e-13 -3.07337553e-29
 -3.16665833e-33 -2.40531609e-49]
energy per atom =  -17.3569842468354
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0