element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:36:30       -2.364951        14.706283
BFGS:    1 16:36:30       -2.876105         7.109229
BFGS:    2 16:36:30       -3.127226         1.016568
BFGS:    3 16:36:30       -3.128898         0.594236
BFGS:    4 16:36:30       -3.129807         0.008739
BFGS:    5 16:36:31       -3.129807         0.000076
BFGS:    6 16:36:31       -3.129807         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8626305766040353e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.7172229050363874, -9.897742489270535e-33, -2.449803106879498e-34], [-1.3914327449320488e-32, 1.7172229050363874, -3.847305427894014e-18], [-8.109826664362415e-34, -3.847305427894012e-18, 1.7172229050363874]])
forces =  [[0. 0. 0.]]
stress =  [ 1.86263058e-09  1.86263058e-09  1.86263058e-09  3.77741177e-26
  2.13821177e-50 -3.76589875e-57]
energy per atom =  -3.1298074537831932
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0