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 16:43:52       -0.394479         0.397715
BFGS:    1 16:43:52       -0.396833         0.357391
BFGS:    2 16:43:52       -0.407921         0.249345
BFGS:    3 16:43:52       -0.433533         1.367812
BFGS:    4 16:43:52       -0.529232         1.873549
BFGS:    5 16:43:52       -0.614363         1.964241
BFGS:    6 16:43:52       -0.753248         3.722093
BFGS:    7 16:43:52       -0.979416         4.760325
BFGS:    8 16:43:52       -1.236802         5.037757
BFGS:    9 16:43:52       -1.522336         6.829566
BFGS:   10 16:43:52       -1.821276         4.607539
BFGS:   11 16:43:52       -2.039803         3.269432
BFGS:   12 16:43:52       -2.178801         0.625577
BFGS:   13 16:43:52       -2.188443         1.437115
BFGS:   14 16:43:52       -2.205078         0.803838
BFGS:   15 16:43:52       -2.219836         0.205296
BFGS:   16 16:43:52       -2.262247         1.259816
BFGS:   17 16:43:52       -2.347783         0.468569
BFGS:   18 16:43:52       -2.349206         0.628689
BFGS:   19 16:43:52       -2.354912         0.392944
BFGS:   20 16:43:52       -2.355970         0.180689
BFGS:   21 16:43:52       -2.356653         0.082378
BFGS:   22 16:43:52       -2.356727         0.036688
BFGS:   23 16:43:52       -2.356744         0.000429
BFGS:   24 16:43:52       -2.356744         0.000016
BFGS:   25 16:43:52       -2.356744         0.000000
BFGS:   26 16:43:52       -2.356744         0.000000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7234182435286546e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.5418733820234016, -1.399785449164667e-34, 2.6857908951275444e-33], [-2.7497922928346872e-33, 2.541873382023403, 1.6557021106014844e-17], [7.517138766804098e-33, -9.64791886392985e-19, 1.3806678825679055]])
forces =  [[0. 0. 0.]]
stress =  [ 8.94049760e-11  8.94049760e-11  2.72341824e-10  4.17397294e-26
 -4.93013506e-44 -1.23023806e-59]
energy per atom =  -2.356744165824049
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0