element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:32       -6.828255         7.005731
BFGS:    1 15:10:32       -7.576929         4.551311
BFGS:    2 15:10:32       -8.035480         2.615687
BFGS:    3 15:10:32       -8.266527         1.111375
BFGS:    4 15:10:32       -8.322945         0.261664
BFGS:    5 15:10:32       -8.325952         0.145183
BFGS:    6 15:10:32       -8.326563         0.166542
BFGS:    7 15:10:32       -8.327941         0.166055
BFGS:    8 15:10:32       -8.329177         0.108669
BFGS:    9 15:10:32       -8.329700         0.030288
BFGS:   10 15:10:32       -8.329757         0.008433
BFGS:   11 15:10:32       -8.329763         0.000657
BFGS:   12 15:10:32       -8.329763         0.000120
BFGS:   13 15:10:32       -8.329763         0.000005
BFGS:   14 15:10:32       -8.329763         0.000000
BFGS:   15 15:10:32       -8.329763         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.173975815993767e-32 eV/Angstrom
Maximum stress component: 2.0329114483691516e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9733944196442468, 3.7755947503513616e-17, -5.716994431249218e-39], [-1.4866972098221234, 2.575035102882805, 1.0611815272639688e-36], [6.218364219455925e-38, 9.981569446845753e-37, 4.830457053056237]])
forces =  [[ 1.83249579e-32  3.17397582e-32  1.30096048e-68]
 [-6.10831931e-33 -3.17397582e-32 -1.30330939e-68]]
stress =  [-2.03291145e-11 -2.03291145e-11  1.39480059e-11  4.95471964e-34
  2.86060872e-34 -1.74409161e-27]
energy per atom =  -4.164881448570662
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0