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_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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 10:52:18       -0.006354         0.008547
BFGS:    1 10:52:18       -0.006357         0.008548
BFGS:    2 10:52:18       -0.007156         0.010713
BFGS:    3 10:52:19       -0.006896         0.015359
BFGS:    4 10:52:19       -0.007216         0.012602
BFGS:    5 10:52:19       -0.007245         0.013500
BFGS:    6 10:52:20       -0.007236         0.014383
BFGS:    7 10:52:20       -0.007255         0.013791
BFGS:    8 10:52:20       -0.007260         0.013571
BFGS:    9 10:52:21       -0.007297         0.011511
BFGS:   10 10:52:21       -0.007351         0.007575
BFGS:   11 10:52:21       -0.007402         0.006810
BFGS:   12 10:52:22       -0.007451         0.003531
BFGS:   13 10:52:22       -0.007466         0.000495
BFGS:   14 10:52:23       -0.007466         0.000021
BFGS:   15 10:52:23       -0.007466         0.000000
BFGS:   16 10:52:23       -0.007466         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9227243158003826e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.9505998181696094, -3.11629304350881e-34, -2.2499762213447354e-32], [-4.2040881401314735e-35, 2.9505998181696094, 2.0187542959038136e-17], [-5.267306991141872e-34, 1.9391257024438394e-17, 2.9505998402024822]])
forces =  [[0. 0. 0.]]
stress =  [ 7.66318089e-11  7.66318089e-11  2.92272432e-10  1.04999400e-25
 -3.84954058e-44 -1.35119132e-59]
energy per atom =  -0.007465937906758181
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.