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 17:31:14       -0.394479        0.3977
BFGS:    1 17:31:14       -0.396833        0.3574
BFGS:    2 17:31:14       -0.407921        0.2493
BFGS:    3 17:31:14       -0.433533        1.3678
BFGS:    4 17:31:14       -0.529232        1.8735
BFGS:    5 17:31:14       -0.614363        1.9642
BFGS:    6 17:31:14       -0.753248        3.7221
BFGS:    7 17:31:14       -0.979416        4.7603
BFGS:    8 17:31:14       -1.236802        5.0378
BFGS:    9 17:31:14       -1.522336        6.8296
BFGS:   10 17:31:14       -1.821276        4.6075
BFGS:   11 17:31:14       -2.039803        3.2694
BFGS:   12 17:31:14       -2.178801        0.6256
BFGS:   13 17:31:14       -2.188443        1.4371
BFGS:   14 17:31:14       -2.205078        0.8038
BFGS:   15 17:31:14       -2.219836        0.2053
BFGS:   16 17:31:14       -2.262247        1.2598
BFGS:   17 17:31:14       -2.347783        0.4686
BFGS:   18 17:31:14       -2.349206        0.6287
BFGS:   19 17:31:14       -2.354912        0.3929
BFGS:   20 17:31:14       -2.355970        0.1807
BFGS:   21 17:31:14       -2.356653        0.0824
BFGS:   22 17:31:14       -2.356727        0.0367
BFGS:   23 17:31:14       -2.356744        0.0004
BFGS:   24 17:31:14       -2.356744        0.0000
BFGS:   25 17:31:14       -2.356744        0.0000
BFGS:   26 17:31:15       -2.356744        0.0000
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