element(s):
['Mg', 'O']
AFLOW prototype label:
AB_hP2_187_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9385', '0.91226816']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  187
cell =  [[2.9385, 0, 0], [-1.46925, 2.5448156490206, 0], [0, 0, 2.6807]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:40:37       -4.987955         2.541125
BFGS:    1 12:40:37       -5.247600         2.279411
BFGS:    2 12:40:38       -5.518708         1.601386
BFGS:    3 12:40:39       -5.634033         0.687418
BFGS:    4 12:40:39       -5.647569         0.894490
BFGS:    5 12:40:40       -5.707923         1.232630
BFGS:    6 12:40:40       -5.753526         1.294277
BFGS:    7 12:40:41       -5.791432         1.167313
BFGS:    8 12:40:41       -5.819454         0.845235
BFGS:    9 12:40:42       -5.835071         0.263179
BFGS:   10 12:40:42       -5.837403         0.028888
BFGS:   11 12:40:43       -5.837425         0.000666
BFGS:   12 12:40:44       -5.837425         0.000003
BFGS:   13 12:40:44       -5.837425         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5003050571897047e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'O']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
cellpar =  Cell([[2.4865518451371504, 2.0699535660301023e-17, -7.892088373489765e-38], [-1.2432759225685752, 2.1534170657158413, 1.0899305283886509e-35], [-2.0621197674699436e-35, 2.2814899570291273e-35, 2.871413798373124]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.54374814e-11 -9.54374814e-11 -1.50030506e-10  1.24588094e-34
 -7.19309699e-35  1.19860782e-28]
energy per atom =  -2.9187123598541147
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0