element(s):
['Mg']
AFLOW prototype label:
A_hP2_194_c
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:
['3.1895', '1.6237655']
model name:
Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1895, 0, 0], [-1.59475, 2.7621880253705, 0], [0, 0, 5.179]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:47       -3.054900         0.057562
BFGS:    1 15:02:47       -3.054950         0.052781
BFGS:    2 15:02:47       -3.055193         0.007817
BFGS:    3 15:02:47       -3.055195         0.007501
BFGS:    4 15:02:47       -3.055211         0.000725
BFGS:    5 15:02:47       -3.055211         0.000110
BFGS:    6 15:02:47       -3.055211         0.000000
BFGS:    7 15:02:47       -3.055211         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.0237745792947516e-33 eV/Angstrom
Maximum stress component: 5.0693376702948074e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.1894449191519723, -5.000438303240512e-19, 2.352156852858629e-38], [-1.5947224595759861, 2.762140323956813, 7.027126308755403e-38], [1.5214104122307921e-37, -3.917401116194635e-37, 5.207150851506805]])
forces =  [[ 1.02377458e-33 -3.54645917e-34 -2.98238290e-72]
 [-1.02377458e-33  3.54645917e-34  2.98238290e-72]]
stress =  [-5.06933767e-12 -5.06933767e-12  2.34635596e-12  4.46347733e-35
 -5.63267271e-49  7.85629284e-28]
energy per atom =  -1.5276054211783194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0