element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
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:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:30      -19.326979        5.9161
BFGS:    1 15:23:30      -19.864165        4.8446
BFGS:    2 15:23:30      -20.299158        3.8708
BFGS:    3 15:23:30      -20.641315        2.9866
BFGS:    4 15:23:30      -20.899209        2.1844
BFGS:    5 15:23:30      -21.080707        1.4576
BFGS:    6 15:23:30      -21.193032        0.8000
BFGS:    7 15:23:30      -21.242825        0.2061
BFGS:    8 15:23:30      -21.246621        0.0139
BFGS:    9 15:23:30      -21.246639        0.0003
BFGS:   10 15:23:30      -21.246639        0.0000
BFGS:   11 15:23:30      -21.246639        0.0000
Minimization converged after 11 steps.
Maximum force component: 6.643975481755173e-31 eV/Angstrom
Maximum stress component: 7.786206820243514e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.12846233e-35 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.695116642351547, 3.518875649293499e-17, -1.5550258033353883e-38], [-1.3475583211757736, 2.334039478438658, 1.5615445781409538e-38], [3.048975383836038e-36, -1.814904783430764e-36, 8.333199999999998]])
forces =  [[-6.20104378e-31  1.53436041e-31  4.09328222e-69]
 [ 6.20104378e-31 -4.60308124e-31 -5.12410211e-69]
 [-6.64397548e-31  2.30154062e-31  4.60654949e-69]
 [ 5.75811208e-31 -3.83590103e-31 -4.61083483e-69]]
stress =  [-7.78620682e-13 -7.78620682e-13 -2.82309129e-85 -1.69577401e-49
  2.84883993e-49 -2.72287015e-28]
energy per atom =  -5.311659793617396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0