element(s):
['Mg']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2446']
model name:
Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:22       -5.742812         1.070136
BFGS:    1 15:24:22       -5.789819         0.980020
BFGS:    2 15:24:22       -5.915297         0.697839
BFGS:    3 15:24:22       -6.000996         0.450956
BFGS:    4 15:24:22       -6.052624         0.245529
BFGS:    5 15:24:22       -6.077440         0.096777
BFGS:    6 15:24:22       -6.083397         0.027471
BFGS:    7 15:24:22       -6.083983         0.003070
BFGS:    8 15:24:22       -6.083991         0.000124
BFGS:    9 15:24:22       -6.083991         0.000000
BFGS:   10 15:24:22       -6.083991         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.622393911563741e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.56378997e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.523048420361763, 7.573437263352075e-33, 8.467634953970262e-33], [3.189843164746382e-33, 4.523048420361763, -6.164883397953893e-17], [-1.5660599582553763e-33, -6.16488339795389e-17, 4.523048420361763]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.62239391e-11 -7.62239391e-11 -7.62239391e-11 -1.07453435e-27
  0.00000000e+00 -1.47468549e-59]
energy per atom =  -1.520997808489432
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0