element(s):
['H']
AFLOW prototype label:
A_tP1_123_a
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:
['3.1695', '0.94664774']
model name:
Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[3.1695, 0, 0], [0, 3.1695, 0], [0, 0, 3.0004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:51:34       -0.394479         0.397715
BFGS:    1 09:51:34       -0.396833         0.357391
BFGS:    2 09:51:34       -0.407921         0.249345
BFGS:    3 09:51:34       -0.433533         1.367812
BFGS:    4 09:51:34       -0.529232         1.873549
BFGS:    5 09:51:34       -0.614363         1.964241
BFGS:    6 09:51:34       -0.753248         3.722093
BFGS:    7 09:51:34       -0.979416         4.760325
BFGS:    8 09:51:34       -1.236802         5.037757
BFGS:    9 09:51:34       -1.522336         6.829566
BFGS:   10 09:51:34       -1.821276         4.607539
BFGS:   11 09:51:34       -2.039803         3.269432
BFGS:   12 09:51:34       -2.178801         0.625577
BFGS:   13 09:51:34       -2.188443         1.437115
BFGS:   14 09:51:34       -2.205078         0.803838
BFGS:   15 09:51:34       -2.219836         0.205296
BFGS:   16 09:51:34       -2.262247         1.259816
BFGS:   17 09:51:34       -2.347783         0.468569
BFGS:   18 09:51:34       -2.349206         0.628689
BFGS:   19 09:51:34       -2.354912         0.392944
BFGS:   20 09:51:34       -2.355970         0.180689
BFGS:   21 09:51:34       -2.356653         0.082378
BFGS:   22 09:51:34       -2.356727         0.036688
BFGS:   23 09:51:34       -2.356744         0.000429
BFGS:   24 09:51:34       -2.356744         0.000016
BFGS:   25 09:51:34       -2.356744         0.000000
BFGS:   26 09:51:34       -2.356744         0.000000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.723413265319494e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.541873382023401, -3.50311460296403e-34, 3.5776146849025205e-32], [-2.1615598729774793e-33, 2.541873382023403, 6.594190561090383e-17], [-3.513934512151517e-33, 2.1114187585670014e-17, 1.3806678825679053]])
forces =  [[0. 0. 0.]]
stress =  [ 8.94047286e-11  8.94047286e-11  2.72341327e-10  1.14203034e-25
  2.30459754e-44 -3.08880218e-60]
energy per atom =  -2.3567441658240504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0