element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:57:08      -87.969989         0.389818
BFGS:    1 10:57:09      -87.974185         0.363455
BFGS:    2 10:57:09      -87.998517         0.121681
BFGS:    3 10:57:09      -88.001500         0.003459
BFGS:    4 10:57:09      -88.001504         0.002114
BFGS:    5 10:57:09      -88.001504         0.001377
BFGS:    6 10:57:09      -88.001505         0.000172
BFGS:    7 10:57:09      -88.001505         0.000028
BFGS:    8 10:57:10      -88.001505         0.000001
BFGS:    9 10:57:10      -88.001505         0.000000
BFGS:   10 10:57:10      -88.001505         0.000000
Minimization converged after 10 steps.
Maximum force component: 9.294849220352913e-10 eV/Angstrom
Maximum stress component: 6.162660335396308e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.99554487e-37 2.50000000e-01]
 [1.44093568e-35 4.86910862e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.4513408879325964, 2.840437150914049e-18, 5.177292115114766e-38], [-1.2256704439662982, 2.12292348228513, 8.740439608351657e-38], [4.151718310346707e-37, 3.316721880224635e-36, 34.42599991844354]])
forces =  [[-2.41720874e-31  1.39557612e-31 -2.17927267e-64]
 [ 2.21577468e-31 -1.74447015e-31  2.17924980e-64]
 [ 2.41720874e-31 -1.39557612e-31  2.17927267e-64]
 [-2.21577468e-31  1.74447015e-31 -2.17924980e-64]
 [ 1.12803075e-30 -5.58230447e-31 -9.29484922e-10]
 [ 8.05736247e-31 -1.39557612e-30 -9.29484922e-10]
 [-4.83441748e-31  5.58230447e-31  9.29484922e-10]
 [ 1.61147249e-30 -5.58230447e-31  9.29484922e-10]
 [ 6.44588997e-31 -1.11646089e-30 -9.29484922e-10]
 [-1.61147249e-30  1.67469134e-30 -9.29484922e-10]
 [-3.22294499e-31  8.91763940e-47  9.29484922e-10]
 [ 3.22294499e-31  5.58230447e-31  9.29484922e-10]]
stress =  [-6.16266034e-12 -6.16266034e-12  1.99656874e-21  4.18859605e-42
 -1.45097196e-42 -1.36505335e-27]
energy per atom =  -7.333458714361696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0