element(s):
['H', 'Mg']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7288']
model name:
Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Mg']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.7288, 0, 0], [0, 4.7288, 0], [0, 0, 4.7288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:06:46      -35.159931         0.039630
BFGS:    1 17:06:47      -35.159998         0.039291
BFGS:    2 17:06:47      -35.163989         0.016464
BFGS:    3 17:06:47      -35.165300         0.008774
BFGS:    4 17:06:48      -35.165975         0.002029
BFGS:    5 17:06:48      -35.166011         0.000045
BFGS:    6 17:06:48      -35.166011         0.000004
BFGS:    7 17:06:48      -35.166011         0.000000
Minimization converged after 7 steps.
Maximum force component: 6.326590152201205e-32 eV/Angstrom
Maximum stress component: 2.730743773316838e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]]
cellpar =  Cell([[4.783912743569664, 1.1652057608604978e-33, -1.3518085976870737e-32], [-3.741283154490042e-33, 4.783912743569664, -1.9277296011805242e-18], [4.1035007912175466e-33, -1.927729601180538e-18, 4.783912743569664]])
forces =  [[-3.56254591e-32  8.91041319e-51 -2.21123539e-32]
 [ 3.86966194e-32  3.07116027e-33  2.27265860e-32]
 [-1.59700334e-32 -1.19775250e-32 -1.87340776e-32]
 [ 4.79101002e-32  1.65842654e-32  2.06535528e-32]
 [-6.32659015e-32 -1.71984975e-32 -5.73539180e-32]
 [-5.52808848e-33  2.08838898e-32 -3.62396912e-32]
 [ 3.10187187e-32 -1.71984975e-32 -3.68539232e-33]
 [-5.95805092e-32  2.14981219e-33 -3.13258347e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.73074377e-10  2.73074377e-10  2.73074377e-10  1.89428905e-25
 -2.24410265e-35 -7.40746850e-51]
energy per atom =  -2.9305009374589397
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0