element(s):
['Mg', 'O']
AFLOW prototype label:
AB_cP12_223_c_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6382']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'O']
representative atom coordinates =  [[0.25 0.   0.5 ]
 [0.25 0.5  0.  ]]
spacegroup =  223
cell =  [[5.6382, 0, 0], [0, 5.6382, 0], [0, 0, 5.6382]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:40:56      -18.838204        0.8888
BFGS:    1 14:40:56      -18.870951        0.8308
BFGS:    2 14:40:56      -18.979052        0.6135
BFGS:    3 14:40:56      -19.055875        0.4135
BFGS:    4 14:40:56      -19.103908        0.2295
BFGS:    5 14:40:56      -19.125465        0.0603
BFGS:    6 14:40:56      -19.127162        0.0034
BFGS:    7 14:40:56      -19.127168        0.0001
BFGS:    8 14:40:56      -19.127168        0.0000
BFGS:    9 14:40:56      -19.127168        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.3612516360100224e-31 eV/Angstrom
Maximum stress component: 4.964195502352112e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[2.50000000e-01 1.34047096e-34 5.00000000e-01]
 [7.50000000e-01 1.00535322e-34 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 6.70235480e-35]
 [4.76230952e-49 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 5.00000000e-01 3.35117740e-35]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 3.35117740e-35 2.50000000e-01]
 [5.00000000e-01 1.00535322e-34 7.50000000e-01]]
cellpar =  Cell([[5.747024743061748, 8.014117405340188e-33, 9.72143328062306e-34], [1.5550912022792003e-32, 5.747024743061748, 1.886290270024684e-18], [-8.656691270141087e-34, 1.8862902700246997e-18, 5.747024743061748]])
forces =  [[ 1.18062582e-31 -1.77093873e-32 -5.81258066e-51]
 [-2.36125164e-31  5.90312909e-33  1.93752689e-51]
 [ 1.31343258e-64  4.72250327e-32 -2.36125164e-32]
 [ 1.18062582e-32 -1.65287615e-31 -5.42507529e-50]
 [-2.95156455e-32  2.32503227e-50  7.08375491e-32]
 [ 5.90312909e-33  1.18062582e-32 -1.88900131e-31]
 [ 7.08375491e-32 -1.93752689e-51 -5.90312909e-33]
 [-4.72250327e-32  2.36125164e-32  1.18062582e-32]
 [-1.77093873e-32 -9.44500654e-32 -3.10004302e-50]
 [-5.90312909e-33 -8.26438073e-32  2.36125164e-32]
 [-2.12764358e-65 -1.18062582e-32 -7.08375491e-32]
 [ 1.18062582e-32 -1.55002151e-50 -4.72250327e-32]]
stress =  [-4.96419550e-14 -4.96419550e-14 -4.96419550e-14 -3.98381143e-32
 -1.86027965e-63  3.28277430e-62]
energy per atom =  -1.5939306620132847
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0