element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:26      -58.741348        0.3255
BFGS:    1 15:41:26      -58.746295        0.2934
BFGS:    2 15:41:26      -58.749482        0.2346
BFGS:    3 15:41:26      -58.750890        0.1928
BFGS:    4 15:41:26      -58.754067        0.0962
BFGS:    5 15:41:26      -58.755006        0.0421
BFGS:    6 15:41:26      -58.755180        0.0075
BFGS:    7 15:41:26      -58.755187        0.0066
BFGS:    8 15:41:26      -58.755188        0.0058
BFGS:    9 15:41:26      -58.755192        0.0035
BFGS:   10 15:41:26      -58.755194        0.0026
BFGS:   11 15:41:26      -58.755195        0.0009
BFGS:   12 15:41:26      -58.755195        0.0001
BFGS:   13 15:41:27      -58.755195        0.0000
BFGS:   14 15:41:27      -58.755195        0.0000
BFGS:   15 15:41:27      -58.755195        0.0000
BFGS:   16 15:41:27      -58.755195        0.0000
BFGS:   17 15:41:27      -58.755195        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.860345875241537e-09 eV/Angstrom
Maximum stress component: 5.583150255664396e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.01778124e-35 9.35447832e-02]
 [0.00000000e+00 0.00000000e+00 5.93544783e-01]
 [2.49408944e-35 3.34760230e-36 9.06455217e-01]
 [0.00000000e+00 1.38734948e-35 4.06455217e-01]
 [3.33333333e-01 6.66666667e-01 6.56184550e-01]
 [6.66666667e-01 3.33333333e-01 1.56184550e-01]
 [6.66666667e-01 3.33333333e-01 3.43815450e-01]
 [3.33333333e-01 6.66666667e-01 8.43815450e-01]]
cellpar =  Cell([[2.5202664239149386, 2.934563833709364e-20, 1.4996021461711176e-37], [-1.2601332119574693, 2.1826147474152986, 3.0385190271211286e-37], [1.666594348043343e-36, 1.966407608657744e-37, 8.244498340254216]])
forces =  [[-1.86388092e-31  3.22833646e-31 -5.86034588e-09]
 [ 1.07690898e-30 -1.43481620e-31 -5.86034588e-09]
 [ 4.97034913e-31 -5.73926482e-31  5.86034588e-09]
 [-4.14195761e-31  1.43481620e-31  5.86034588e-09]
 [-9.94069826e-31  5.73926482e-31  3.59581102e-09]
 [ 1.83799369e-31  1.83835826e-31  3.59581102e-09]
 [ 8.28391522e-32 -4.30444861e-31 -3.59581102e-09]
 [-6.21293641e-31  5.02185672e-31 -3.59581102e-09]]
stress =  [-6.18075211e-11 -6.18075211e-11 -5.58315026e-10  4.60072300e-44
  1.59490071e-44 -7.82450744e-27]
energy per atom =  -7.3443993305727435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0