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 19:43:25      -35.159931        0.0396
BFGS:    1 19:43:25      -35.159998        0.0393
BFGS:    2 19:43:25      -35.163989        0.0165
BFGS:    3 19:43:25      -35.165300        0.0088
BFGS:    4 19:43:25      -35.165975        0.0020
BFGS:    5 19:43:25      -35.166011        0.0000
BFGS:    6 19:43:25      -35.166011        0.0000
BFGS:    7 19:43:25      -35.166011        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.383557700760504e-31 eV/Angstrom
Maximum stress component: 2.730740853690645e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Mg', 'Mg', 'Mg', 'Mg']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.86053614e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.61033869e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.7839127435696565, -8.57882958876989e-33, 5.023407286101744e-32], [-1.64564976154774e-32, 4.7839127435696565, 4.544310680890311e-18], [8.127157630774847e-33, 4.5443106808903585e-18, 4.7839127435696565]])
forces =  [[ 1.53558013e-32  9.21348080e-33  4.65952597e-32]
 [-8.75280676e-33 -1.65842654e-32  2.57977463e-32]
 [ 7.37078464e-33 -1.27779551e-49 -1.34516820e-31]
 [-8.59924875e-33 -3.81975558e-32  2.39550501e-32]
 [ 2.51835142e-32  2.45692821e-33 -1.59700334e-32]
 [-2.42621661e-32 -9.52059683e-33 -1.03805217e-31]
 [-1.04419449e-32  1.04419449e-32  1.38355770e-31]
 [ 1.93483097e-32 -1.35131052e-32 -1.97322047e-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 =  [ 2.73074085e-10  2.73074085e-10  2.73074085e-10 -8.14854697e-28
  1.68307699e-35  3.23388343e-51]
energy per atom =  -2.9305009374589357
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0