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 17:31:16       -0.006354        0.0085
BFGS:    1 17:31:16       -0.006357        0.0085
BFGS:    2 17:31:16       -0.007156        0.0107
BFGS:    3 17:31:16       -0.006896        0.0154
BFGS:    4 17:31:16       -0.007216        0.0126
BFGS:    5 17:31:16       -0.007245        0.0135
BFGS:    6 17:31:16       -0.007236        0.0144
BFGS:    7 17:31:16       -0.007255        0.0138
BFGS:    8 17:31:16       -0.007260        0.0136
BFGS:    9 17:31:16       -0.007297        0.0115
BFGS:   10 17:31:16       -0.007351        0.0076
BFGS:   11 17:31:16       -0.007402        0.0068
BFGS:   12 17:31:16       -0.007451        0.0035
BFGS:   13 17:31:16       -0.007466        0.0005
BFGS:   14 17:31:16       -0.007466        0.0000
BFGS:   15 17:31:16       -0.007466        0.0000
BFGS:   16 17:31:16       -0.007466        0.0000
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.