element(s):
['H']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2058']
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 =  229
cell =  [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:35       -0.169767         0.821703
BFGS:    1 15:56:35       -0.197581         0.761711
BFGS:    2 15:56:35       -0.306826         0.761425
BFGS:    3 15:56:35       -0.444193         1.121946
BFGS:    4 15:56:35       -0.643811         1.455330
BFGS:    5 15:56:35       -0.878363         2.119374
BFGS:    6 15:56:35       -1.246519         2.419237
BFGS:    7 15:56:35       -1.561441         1.720545
BFGS:    8 15:56:35       -1.790143         1.467642
BFGS:    9 15:56:35       -2.045795         2.060178
BFGS:   10 15:56:35       -2.374605         2.157538
BFGS:   11 15:56:35       -2.625496         1.085695
BFGS:   12 15:56:35       -2.728804         0.289684
BFGS:   13 15:56:35       -2.738413         0.085582
BFGS:   14 15:56:36       -2.739850         0.045184
BFGS:   15 15:56:36       -2.740976         0.053822
BFGS:   16 15:56:36       -2.837618         2.102494
BFGS:   17 15:56:36       -3.411842         4.921872
BFGS:   18 15:56:36       -4.010488         2.870433
BFGS:   19 15:56:36       -4.414300         3.223144
BFGS:   20 15:56:36       -4.864535         2.170483
BFGS:   21 15:56:36       -5.108984         0.767222
BFGS:   22 15:56:36       -5.119477         0.460975
BFGS:   23 15:56:36       -5.127467         0.045993
BFGS:   24 15:56:36       -5.127537         0.005269
BFGS:   25 15:56:36       -5.127537         0.000078
BFGS:   26 15:56:36       -5.127537         0.000000
BFGS:   27 15:56:36       -5.127537         0.000000
Minimization converged after 27 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1412480550400544e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.2876337938284497, -1.0612099845775932e-33, -1.4217767542137648e-33], [-5.697641924096543e-33, 2.2876337938284497, -3.806449728391502e-18], [5.442357969155138e-34, -3.806449728391507e-18, 2.2876337938284483]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.14124806e-13  3.14124806e-13  3.14124806e-13 -1.76314487e-31
 -1.96275552e-34  2.50141568e-51]
energy per atom =  -2.563768710624098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0