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 15:41:26      -58.624144        3.1950
BFGS:    1 15:41:26      -58.626724        2.1905
BFGS:    2 15:41:26      -58.775603        0.9045
BFGS:    3 15:41:27      -58.791661        0.6788
BFGS:    4 15:41:27      -58.800951        0.3485
BFGS:    5 15:41:27      -58.802776        0.3074
BFGS:    6 15:41:27      -58.810452        0.0554
BFGS:    7 15:41:27      -58.810543        0.0133
BFGS:    8 15:41:27      -58.810557        0.0065
BFGS:    9 15:41:27      -58.810558        0.0060
BFGS:   10 15:41:27      -58.810563        0.0040
BFGS:   11 15:41:27      -58.810565        0.0027
BFGS:   12 15:41:27      -58.810565        0.0005
BFGS:   13 15:41:27      -58.810565        0.0000
BFGS:   14 15:41:27      -58.810565        0.0000
BFGS:   15 15:41:27      -58.810565        0.0000
BFGS:   16 15:41:27      -58.810565        0.0000
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 =  [[1.25503614e-35 6.28962927e-35 9.04661412e-02]
 [9.29405642e-36 0.00000000e+00 5.90466141e-01]
 [5.46928246e-36 3.56333445e-35 9.09533859e-01]
 [0.00000000e+00 0.00000000e+00 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, 1.3963398602392173e-20, -7.566475303362115e-37], [-1.2570319926363032, 2.1772432779856237, -7.272638926414465e-37], [-1.0009599538587382e-36, -1.4408711856929145e-36, 8.24156142277686]])
forces =  [[-1.03294104e-32 -1.78910636e-32 -4.61032335e-09]
 [ 8.26352830e-32  8.06022731e-46 -4.61032335e-09]
 [ 4.13176415e-32 -7.15642543e-32  4.61032335e-09]
 [-5.59936256e-46 -8.06022272e-46  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  1.83177756e-33
 -3.68298316e-45 -1.19295510e-25]
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