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_Wagner_2007_SiC__SM_264944083668_000
==== 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 14:32:01      -88.386678        2.2824
BFGS:    1 14:32:01      -87.927643        9.8077
BFGS:    2 14:32:01      -88.408644        1.7578
BFGS:    3 14:32:01      -88.166899        5.8931
BFGS:    4 14:32:01      -88.432398        0.2669
BFGS:    5 14:32:01      -88.433325        0.2205
BFGS:    6 14:32:01      -88.435636        0.1975
BFGS:    7 14:32:01      -88.437708        0.2689
BFGS:    8 14:32:01      -88.439514        0.1819
BFGS:    9 14:32:01      -88.439938        0.0510
BFGS:   10 14:32:01      -88.439976        0.0089
BFGS:   11 14:32:01      -88.439980        0.0091
BFGS:   12 14:32:01      -88.439986        0.0080
BFGS:   13 14:32:01      -88.439993        0.0097
BFGS:   14 14:32:01      -88.439998        0.0062
BFGS:   15 14:32:01      -88.440000        0.0017
BFGS:   16 14:32:01      -88.440000        0.0001
BFGS:   17 14:32:01      -88.440000        0.0000
BFGS:   18 14:32:01      -88.440000        0.0000
BFGS:   19 14:32:01      -88.440000        0.0000
BFGS:   20 14:32:01      -88.440000        0.0000
Minimization converged after 20 steps.
Maximum force component: 6.316778211612472e-10 eV/Angstrom
Maximum stress component: 7.316746183111505e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.29457457e-35 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 3.03423551e-35 6.87500000e-01]
 [0.00000000e+00 1.07079453e-34 8.12500000e-01]
 [3.93781729e-36 1.27419705e-35 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([[2.5222498870838637, -1.794414196673554e-19, -4.644418556612912e-36], [-1.2611249435419318, 2.1843324769070573, -9.004342957863416e-36], [-2.722111562596551e-35, -1.3897234894628065e-34, 12.356450454244253]])
forces =  [[ 3.31617388e-31 -5.74378165e-31 -4.95328223e-10]
 [ 1.65808694e-31 -8.61567248e-31 -4.95328223e-10]
 [ 9.94852165e-31  5.74378165e-31  4.95328223e-10]
 [-1.09120227e-45 -5.57093049e-45  4.95328223e-10]
 [ 5.80330429e-31 -1.00516179e-30 -6.17381257e-10]
 [ 1.36008368e-45  6.94365456e-45 -6.17381257e-10]
 [-5.80330429e-31  1.00516179e-30  6.17381257e-10]
 [ 2.65293911e-30 -6.94384330e-45  6.17381257e-10]
 [-1.38776724e-45  5.74378165e-31  6.31677821e-10]
 [-6.63234776e-31 -7.10440008e-45  6.31677821e-10]
 [-6.63234776e-31  5.74378165e-31 -6.31677821e-10]
 [-6.63234776e-31  7.10449445e-45 -6.31677821e-10]]
stress =  [ 9.61005039e-12  9.61005039e-12 -7.31674618e-11  8.52461466e-33
 -2.10929510e-33 -1.86395552e-27]
energy per atom =  -7.369999999995968
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0