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_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_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 14:49:06      -58.624144         3.195021
BFGS:    1 14:49:06      -58.626724         2.190542
BFGS:    2 14:49:06      -58.775603         0.904456
BFGS:    3 14:49:06      -58.791661         0.678804
BFGS:    4 14:49:06      -58.800951         0.348472
BFGS:    5 14:49:06      -58.802776         0.307359
BFGS:    6 14:49:06      -58.810452         0.055386
BFGS:    7 14:49:06      -58.810543         0.013320
BFGS:    8 14:49:06      -58.810557         0.006471
BFGS:    9 14:49:06      -58.810558         0.005962
BFGS:   10 14:49:06      -58.810563         0.003967
BFGS:   11 14:49:06      -58.810565         0.002682
BFGS:   12 14:49:06      -58.810565         0.000533
BFGS:   13 14:49:06      -58.810565         0.000043
BFGS:   14 14:49:06      -58.810565         0.000001
BFGS:   15 14:49:06      -58.810565         0.000000
BFGS:   16 14:49:06      -58.810565         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.610323345310974e-09 eV/Angstrom
Maximum stress component: 2.0413323020195753e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.08079512e-35 9.04661412e-02]
 [3.85013602e-35 0.00000000e+00 5.90466141e-01]
 [2.14273383e-35 5.78808568e-36 9.09533859e-01]
 [0.00000000e+00 1.15963541e-35 4.09533859e-01]
 [3.33333333e-01 6.66666667e-01 6.58174217e-01]
 [6.66666667e-01 3.33333333e-01 1.58174217e-01]
 [6.66666667e-01 3.33333333e-01 3.41825783e-01]
 [3.33333333e-01 6.66666667e-01 8.41825783e-01]]
cellpar =  Cell([[2.5140639852726063, 1.3963398602392125e-20, -1.2987340159378778e-39], [-1.2570319926363032, 2.1772432779856237, -3.191818045613477e-37], [2.030704654825434e-37, 2.10374725017569e-36, 8.24156142277686]])
forces =  [[-1.03294104e-32 -1.78910636e-32 -4.61032335e-09]
 [ 8.26352830e-32 -1.17683419e-45 -4.61032335e-09]
 [ 4.13176415e-32 -7.15642543e-32  4.61032335e-09]
 [ 1.13597468e-46  1.17683465e-45  4.61032335e-09]
 [ 1.44611745e-31  1.07346381e-31 -5.22584337e-10]
 [ 2.73729375e-31 -1.87856168e-31 -5.22584337e-10]
 [ 1.65270566e-31 -7.15642543e-32  5.22584337e-10]
 [ 8.26352830e-32 -1.43128509e-31  5.22584337e-10]]
stress =  [ 2.04133230e-10  2.04133230e-10 -1.99856732e-10  9.15888779e-34
  7.93182949e-34 -9.83673173e-26]
energy per atom =  -7.351320620580314
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0