element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:26:17      -59.746885        0.1897
BFGS:    1 17:26:17      -59.748363        0.1740
BFGS:    2 17:26:17      -59.756095        0.0033
BFGS:    3 17:26:17      -59.756097        0.0001
BFGS:    4 17:26:17      -59.756097        0.0000
BFGS:    5 17:26:17      -59.756097        0.0000
Minimization converged after 5 steps.
Maximum force component: 4.678378484921647e-31 eV/Angstrom
Maximum stress component: 1.648040765371858e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 3.98025568e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.39952138e-32 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.5583295767034566, -6.850625031374663e-38, -9.481534784793477e-35], [-1.456357928954188e-34, 3.5583295767034566, -8.022577708315317e-21], [1.3304917174388648e-34, -8.022577708315606e-21, 3.5583295767034566]])
forces =  [[ 2.04679059e-31  4.67837848e-31  1.90059126e-31]
 [ 1.46199328e-32 -2.92398655e-31 -1.42544344e-31]
 [-8.77195966e-32 -5.84797311e-32 -5.11697647e-32]
 [ 2.92398655e-31  2.92398655e-31  7.30996638e-32]
 [ 2.04679059e-31  2.33918924e-31 -7.30996638e-32]
 [-4.67837848e-31  5.84797311e-32  3.36258454e-31]
 [-2.33918924e-31 -8.77195966e-32  3.87428218e-31]
 [-1.24400684e-65  1.16959462e-31 -2.04679059e-31]]
stress =  [-1.64804077e-14 -1.64804077e-14 -1.64804077e-14 -9.70970843e-31
 -3.20634359e-64  2.46761046e-64]
energy per atom =  -7.469512181996429
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0