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 16:11:17       -0.169767         0.821703
BFGS:    1 16:11:17       -0.197581         0.761711
BFGS:    2 16:11:17       -0.306826         0.761425
BFGS:    3 16:11:17       -0.444193         1.121946
BFGS:    4 16:11:17       -0.643811         1.455330
BFGS:    5 16:11:17       -0.878363         2.119374
BFGS:    6 16:11:17       -1.246519         2.419237
BFGS:    7 16:11:17       -1.561441         1.720545
BFGS:    8 16:11:17       -1.790143         1.467642
BFGS:    9 16:11:17       -2.045795         2.060178
BFGS:   10 16:11:17       -2.374605         2.157538
BFGS:   11 16:11:17       -2.625496         1.085695
BFGS:   12 16:11:17       -2.728804         0.289684
BFGS:   13 16:11:17       -2.738413         0.085582
BFGS:   14 16:11:17       -2.739850         0.045184
BFGS:   15 16:11:17       -2.740976         0.053822
BFGS:   16 16:11:17       -2.837618         2.102494
BFGS:   17 16:11:17       -3.411842         4.921872
BFGS:   18 16:11:17       -4.010488         2.870433
BFGS:   19 16:11:17       -4.414300         3.223144
BFGS:   20 16:11:17       -4.864535         2.170483
BFGS:   21 16:11:17       -5.108984         0.767222
BFGS:   22 16:11:17       -5.119477         0.460975
BFGS:   23 16:11:17       -5.127467         0.045993
BFGS:   24 16:11:17       -5.127537         0.005269
BFGS:   25 16:11:17       -5.127537         0.000078
BFGS:   26 16:11:17       -5.127537         0.000000
BFGS:   27 16:11:17       -5.127537         0.000000
Minimization converged after 27 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.143192608366017e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.2876337938284492, 1.3027093098643703e-33, 1.7825582078448527e-35], [4.473742420019086e-33, 2.2876337938284497, 1.9736580058923948e-17], [-5.0701059769253054e-33, 1.9736580058923954e-17, 2.2876337938284492]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.14319261e-13  3.14319261e-13  3.14319261e-13  1.08496604e-28
 -9.81377758e-35 -1.36008990e-50]
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