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 17:56:20       -0.169767        0.8217
BFGS:    1 17:56:20       -0.197581        0.7617
BFGS:    2 17:56:20       -0.306826        0.7614
BFGS:    3 17:56:20       -0.444193        1.1219
BFGS:    4 17:56:20       -0.643811        1.4553
BFGS:    5 17:56:20       -0.878363        2.1194
BFGS:    6 17:56:20       -1.246519        2.4192
BFGS:    7 17:56:20       -1.561441        1.7205
BFGS:    8 17:56:20       -1.790143        1.4676
BFGS:    9 17:56:20       -2.045795        2.0602
BFGS:   10 17:56:20       -2.374605        2.1575
BFGS:   11 17:56:20       -2.625496        1.0857
BFGS:   12 17:56:20       -2.728804        0.2897
BFGS:   13 17:56:20       -2.738413        0.0856
BFGS:   14 17:56:20       -2.739850        0.0452
BFGS:   15 17:56:20       -2.740976        0.0538
BFGS:   16 17:56:20       -2.837618        2.1025
BFGS:   17 17:56:20       -3.411842        4.9219
BFGS:   18 17:56:20       -4.010488        2.8704
BFGS:   19 17:56:20       -4.414300        3.2231
BFGS:   20 17:56:20       -4.864535        2.1705
BFGS:   21 17:56:20       -5.108984        0.7672
BFGS:   22 17:56:20       -5.119477        0.4610
BFGS:   23 17:56:20       -5.127467        0.0460
BFGS:   24 17:56:20       -5.127537        0.0053
BFGS:   25 17:56:20       -5.127537        0.0001
BFGS:   26 17:56:20       -5.127537        0.0000
BFGS:   27 17:56:20       -5.127537        0.0000
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