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 13:58:21      -89.642961        92.365453
BFGS:    1 13:58:21     -102.904509        84.545803
BFGS:    2 13:58:21     -115.032982        77.251854
BFGS:    3 13:58:21     -126.104626        70.449207
BFGS:    4 13:58:21     -136.190701        64.105764
BFGS:    5 13:58:22     -145.357815        58.191567
BFGS:    6 13:58:22     -153.668232        52.678652
BFGS:    7 13:58:22     -161.180166        47.540908
BFGS:    8 13:58:22     -167.948041        42.753954
BFGS:    9 13:58:22     -174.022750        38.295015
BFGS:   10 13:58:22     -179.458171        34.199609
BFGS:   11 13:58:23     -184.294628        30.332711
BFGS:   12 13:58:23     -188.571400        26.734151
BFGS:   13 13:58:23     -192.327420        23.386565
BFGS:   14 13:58:24     -195.599105        20.273722
BFGS:   15 13:58:24     -198.420514        17.380448
BFGS:   16 13:58:24     -200.823506        14.692551
BFGS:   17 13:58:24     -202.841523        12.249133
BFGS:   18 13:58:24     -204.502908         9.931633
BFGS:   19 13:58:24     -205.829418         7.782257
BFGS:   20 13:58:24     -206.846974         5.808428
BFGS:   21 13:58:24     -207.578047         3.962913
BFGS:   22 13:58:24     -208.042726         2.254987
BFGS:   23 13:58:24     -208.260976         0.675741
BFGS:   24 13:58:24     -208.283740         0.037230
BFGS:   25 13:58:24     -208.283811         0.000666
BFGS:   26 13:58:24     -208.283811         0.000001
BFGS:   27 13:58:24     -208.283811         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.641877485844459e-29 eV/Angstrom
Maximum stress component: 7.333707051753123e-13 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([[6.027372251024636, -4.092117244173774e-32, -6.658657454366248e-33], [-5.472563070977055e-32, 6.027372251024636, -4.359576627065704e-17], [3.6925180030064625e-32, -4.3595766270657056e-17, 6.027372251024636]])
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]
 [ 6.53779270e-30 -5.54721805e-30  4.49473248e-30]
 [-6.66161454e-30  8.63657275e-30  3.66512621e-30]
 [ 6.34586886e-30 -1.01038615e-29 -9.41045919e-30]
 [-2.17926423e-30  9.50951666e-30  3.07078142e-30]
 [ 3.96229861e-30 -2.97172396e-30 -7.03308003e-30]
 [-2.30927716e-30  2.97172396e-30 -6.04250538e-30]
 [ 2.17926423e-30  7.88125958e-30  1.64187749e-29]
 [ 7.96483931e-30 -5.54721805e-30  1.74124451e-30]]
stress =  [-7.33370705e-13 -7.33370705e-13 -7.33370705e-13 -1.95909910e-29
 -9.04759523e-34 -1.27935688e-50]
energy per atom =  -17.356984246835392
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0