element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:00:36      -87.959187        1.5517
BFGS:    1 16:00:36      -88.025223        1.4282
BFGS:    2 16:00:36      -88.153953        1.1564
BFGS:    3 16:00:36      -88.256645        0.8929
BFGS:    4 16:00:36      -88.333054        0.6379
BFGS:    5 16:00:36      -88.384615        0.3911
BFGS:    6 16:00:37      -88.411722        0.1523
BFGS:    7 16:00:37      -88.416727        0.0177
BFGS:    8 16:00:37      -88.416741        0.0061
BFGS:    9 16:00:37      -88.416744        0.0059
BFGS:   10 16:00:37      -88.416765        0.0135
BFGS:   11 16:00:37      -88.416805        0.0267
BFGS:   12 16:00:37      -88.416917        0.0491
BFGS:   13 16:00:37      -88.417164        0.0768
BFGS:   14 16:00:37      -88.417660        0.1012
BFGS:   15 16:00:37      -88.418259        0.0982
BFGS:   16 16:00:37      -88.418802        0.0699
BFGS:   17 16:00:37      -88.419130        0.0236
BFGS:   18 16:00:37      -88.419164        0.0021
BFGS:   19 16:00:37      -88.419164        0.0004
BFGS:   20 16:00:37      -88.419164        0.0001
BFGS:   21 16:00:37      -88.419164        0.0000
BFGS:   22 16:00:37      -88.419164        0.0000
BFGS:   23 16:00:37      -88.419164        0.0000
BFGS:   24 16:00:37      -88.419164        0.0000
Minimization converged after 24 steps.
Maximum force component: 8.824536661232688e-10 eV/Angstrom
Maximum stress component: 2.380336384942107e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.58222450e-31 5.72310436e-31 4.42973275e-01]
 [0.00000000e+00 1.03900403e-16 5.57026725e-01]
 [6.66666667e-01 3.33333333e-01 7.76306608e-01]
 [6.66666667e-01 3.33333333e-01 8.90360058e-01]
 [3.33333333e-01 6.66666667e-01 1.09639942e-01]
 [3.33333333e-01 6.66666667e-01 2.23693392e-01]
 [1.14897458e-17 2.68402345e-31 2.23694763e-01]
 [1.00000000e+00 9.80802283e-31 7.76305237e-01]
 [6.66666667e-01 3.33333333e-01 5.57028097e-01]
 [6.66666667e-01 3.33333333e-01 1.09638570e-01]
 [3.33333333e-01 6.66666667e-01 8.90361430e-01]
 [3.33333333e-01 6.66666667e-01 4.42971903e-01]]
cellpar =  Cell([[2.5304198201313213, 1.504664582118665e-18, 1.8551581858731172e-19], [-1.2652099100656606, 2.191407846473375, 3.710316371750808e-19], [2.7239637755894532e-18, 7.863406095494105e-18, 37.15002064474889]])
forces =  [[-6.55916319e-29 -1.85249035e-28 -8.82453666e-10]
 [ 6.73659869e-29  1.84864876e-28  8.82453666e-10]
 [-6.55916319e-29 -1.85249035e-28 -8.82453666e-10]
 [ 6.73659869e-29  1.85249035e-28  8.82453666e-10]
 [-6.69223981e-29 -1.85249035e-28 -8.82453666e-10]
 [ 6.73659869e-29  1.85249035e-28  8.82453666e-10]
 [-6.23179864e-29 -1.77847682e-28 -8.43856725e-10]
 [ 6.18743976e-29  1.79384319e-28  8.43856725e-10]
 [-6.09872202e-29 -1.79384319e-28 -8.43856725e-10]
 [ 5.92128653e-29  1.78616001e-28  8.43856725e-10]
 [-6.23179864e-29 -1.78616001e-28 -8.43856725e-10]
 [ 6.23179864e-29  1.78616001e-28  8.43856725e-10]]
stress =  [-2.31780962e-12 -2.31780962e-12 -2.38033638e-12  3.09209573e-26
  1.07113338e-26 -5.37026896e-28]
energy per atom =  -7.368263693512792
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0