element(s):
['Mg', 'O']
AFLOW prototype label:
AB_hP4_194_c_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:
['3.5261', '1.2017243']
model name:
Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[3.5261, 0, 0], [-1.76305, 3.0536921762843, 0], [0, 0, 4.2374]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:05:22      -83.768876         1.024910
BFGS:    1 12:05:22      -83.809935         0.882614
BFGS:    2 12:05:22      -83.903374         0.374706
BFGS:    3 12:05:22      -83.921300         0.070019
BFGS:    4 12:05:22      -83.921547         0.026014
BFGS:    5 12:05:22      -83.921564         0.025205
BFGS:    6 12:05:22      -83.921833         0.001238
BFGS:    7 12:05:22      -83.921827         0.000034
BFGS:    8 12:05:22      -83.921823         0.000002
BFGS:    9 12:05:22      -83.921827         0.000001
BFGS:   10 12:05:22      -83.921819         0.000002
BFGS:   11 12:05:22      -83.921824         0.000002
BFGS:   12 12:05:22      -83.921823         0.000000
BFGS:   13 12:05:22      -83.921825         0.000001
BFGS:   14 12:05:22      -83.921823         0.000000
BFGS:   15 12:05:22      -83.921823         0.000000
BFGS:   16 12:05:22      -83.921823         0.000000
BFGS:   17 12:05:22      -83.921823         0.000000
BFGS:   18 12:05:22      -83.921823         0.000000
BFGS:   19 12:05:22      -83.921823         0.000000
BFGS:   20 12:05:22      -83.921823         0.000000
BFGS:   21 12:05:22      -83.921823         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.5570607424188384e-23 eV/Angstrom
Maximum stress component: 6.33097045314367e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666666 0.33333334 0.25      ]]
cellpar =  Cell([[3.434774170925652, -2.9049444637076314e-18, 2.4835203601652585e-37], [-1.717387085462826, 2.974601688284247, 1.5348468846970744e-36], [1.2901662536875042e-36, -1.208925083481249e-36, 4.149135665036899]])
forces =  [[-2.55706074e-23  1.80439075e-23  9.15222555e-24]
 [ 2.55706074e-23 -1.80439075e-23 -9.15222555e-24]
 [-1.89411907e-24  3.28071046e-24  9.15222555e-24]
 [ 1.89411907e-24 -3.28071046e-24 -9.15222555e-24]]
stress =  [-6.33097045e-10 -6.33097045e-10  8.39897406e-12 -6.65798397e-34
 -1.15319665e-33  2.43270315e-24]
energy per atom =  -20.98045574879871
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0