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 12:16:37      -18.838204         0.888815
BFGS:    1 12:16:37      -18.870951         0.830765
BFGS:    2 12:16:37      -18.979052         0.613547
BFGS:    3 12:16:37      -19.055875         0.413519
BFGS:    4 12:16:38      -19.103908         0.229487
BFGS:    5 12:16:38      -19.125465         0.060337
BFGS:    6 12:16:38      -19.127162         0.003402
BFGS:    7 12:16:38      -19.127168         0.000055
BFGS:    8 12:16:38      -19.127168         0.000000
BFGS:    9 12:16:39      -19.127168         0.000000
Minimization converged after 9 steps.
Maximum force component: 7.556005235232073e-31 eV/Angstrom
Maximum stress component: 4.9160388013694305e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 6.70235480e-35]
 [1.78586607e-49 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.53824456e-38 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.747024743061749, 3.8810051984493145e-33, -6.848799560304508e-34], [3.38060759386034e-33, 5.747024743061749, -2.3101798124490855e-18], [9.988299090489625e-34, -2.310179812449084e-18, 5.747024743061749]])
forces =  [[ 2.83350196e-31 -1.89834431e-50  4.72250327e-32]
 [ 1.88900131e-31  1.27565553e-64 -2.25114593e-65]
 [ 4.72250327e-32  1.88900131e-31 -7.59337724e-50]
 [ 1.66676823e-64  2.83350196e-31 -1.13900659e-49]
 [ 7.70255871e-65  4.72250327e-32  2.83350196e-31]
 [-3.28307444e-65  7.59337724e-50 -1.88900131e-31]
 [-7.55600524e-31 -5.10262212e-64  9.00458370e-65]
 [ 3.77800262e-31 -9.49172155e-51  2.36125164e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.36125164e-32  4.72250327e-31 -1.89834431e-49]
 [-5.80845779e-65 -7.08375491e-32 -9.44500654e-32]
 [ 9.84922333e-65 -2.27801317e-49  5.66700393e-31]]
stress =  [-4.91603880e-14 -4.91603880e-14 -4.91603880e-14 -1.07482254e-30
 -5.85713889e-63  9.53388047e-64]
energy per atom =  -1.5939306620132836
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0