element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:47:35      -88.365090         2.164660
BFGS:    1 17:47:35      -88.280003         4.370764
BFGS:    2 17:47:35      -88.428835         0.475853
BFGS:    3 17:47:35      -88.431855         0.356303
BFGS:    4 17:47:35      -88.433661         0.201558
BFGS:    5 17:47:35      -88.434622         0.151236
BFGS:    6 17:47:35      -88.437353         0.165905
BFGS:    7 17:47:35      -88.438837         0.148409
BFGS:    8 17:47:35      -88.439721         0.077438
BFGS:    9 17:47:35      -88.439949         0.014592
BFGS:   10 17:47:35      -88.439979         0.007914
BFGS:   11 17:47:36      -88.439982         0.007386
BFGS:   12 17:47:36      -88.439987         0.006548
BFGS:   13 17:47:36      -88.439993         0.004543
BFGS:   14 17:47:36      -88.439998         0.004207
BFGS:   15 17:47:37      -88.440000         0.001979
BFGS:   16 17:47:37      -88.440000         0.000355
BFGS:   17 17:47:37      -88.440000         0.000024
BFGS:   18 17:47:37      -88.440000         0.000002
BFGS:   19 17:47:38      -88.440000         0.000000
BFGS:   20 17:47:38      -88.440000         0.000000
BFGS:   21 17:47:38      -88.440000         0.000000
BFGS:   22 17:47:38      -88.440000         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.129173373201231e-09 eV/Angstrom
Maximum stress component: 1.52702858056598e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.10461360e-35 3.52734784e-36 1.87500000e-01]
 [1.20920680e-34 3.39407306e-35 6.87500000e-01]
 [1.90291254e-35 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.522249882715149, -5.674884273248445e-20, 3.9096859498427243e-35], [-1.2611249413575745, 2.1843324731236398, 7.80682701339899e-35], [2.0449190177590405e-34, 5.992356917940703e-34, 12.356450432957537]])
forces =  [[ 1.24356520e-30  7.17972705e-31  2.12917337e-09]
 [ 8.29043469e-31  8.61567246e-31  2.12917337e-09]
 [-2.81874779e-30  1.43594541e-30 -2.12917337e-09]
 [-8.29043469e-31 -1.14875633e-30 -2.12917337e-09]
 [-5.80330428e-30  8.61567246e-31  7.21162959e-10]
 [ 9.94852163e-31 -1.72313449e-30  7.21162959e-10]
 [-1.65808694e-31  2.87189082e-31 -7.21162959e-10]
 [-3.64779126e-30  6.31815980e-30 -7.21162959e-10]
 [-1.98970433e-30  1.14875633e-30 -3.23962151e-11]
 [ 1.65808694e-31 -2.87189082e-31 -3.23962151e-11]
 [ 3.31617388e-31  1.57107223e-45  3.23962151e-11]
 [-1.65808694e-30  5.74378164e-31  3.23962151e-11]]
stress =  [-1.52702858e-10 -1.52702858e-10  1.06355095e-10 -3.56679337e-42
 -1.23561376e-42  1.06713452e-26]
energy per atom =  -7.369999999987209
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0