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 15:52:43      -83.768876        1.0249
BFGS:    1 15:52:43      -83.809935        0.8826
BFGS:    2 15:52:43      -83.903374        0.3747
BFGS:    3 15:52:43      -83.921300        0.0700
BFGS:    4 15:52:43      -83.921547        0.0260
BFGS:    5 15:52:43      -83.921564        0.0252
BFGS:    6 15:52:43      -83.921833        0.0012
BFGS:    7 15:52:43      -83.921827        0.0000
BFGS:    8 15:52:43      -83.921823        0.0000
BFGS:    9 15:52:43      -83.921827        0.0000
BFGS:   10 15:52:43      -83.921819        0.0000
BFGS:   11 15:52:43      -83.921824        0.0000
BFGS:   12 15:52:43      -83.921823        0.0000
BFGS:   13 15:52:43      -83.921825        0.0000
BFGS:   14 15:52:43      -83.921823        0.0000
BFGS:   15 15:52:43      -83.921823        0.0000
BFGS:   16 15:52:43      -83.921823        0.0000
BFGS:   17 15:52:43      -83.921823        0.0000
BFGS:   18 15:52:43      -83.921823        0.0000
BFGS:   19 15:52:43      -83.921823        0.0000
BFGS:   20 15:52:43      -83.921823        0.0000
BFGS:   21 15:52:43      -83.921823        0.0000
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