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:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== 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 10:53:25      -29.425633         1.610670
BFGS:    1 10:53:25      -29.490537         1.213062
BFGS:    2 10:53:25      -29.570960         0.408679
BFGS:    3 10:53:25      -29.582016         0.029749
BFGS:    4 10:53:25      -29.582076         0.000815
BFGS:    5 10:53:25      -29.582077         0.000002
BFGS:    6 10:53:25      -29.582077         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.1521396707031989e-30 eV/Angstrom
Maximum stress component: 8.60407034821228e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[2.04360611e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 2.69095172e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5296784691269854, 6.024878750895677e-18, -3.361960810791671e-39], [-1.2648392345634927, 2.190765817670497, 5.465045092714776e-39], [4.115985509433687e-37, -1.1289568200374275e-36, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.98891112e-31 -2.88034918e-31  6.59420427e-66]
 [ 3.69253599e-47  1.15213967e-30  1.99006713e-69]
 [-3.32594075e-31 -1.15213967e-30 -1.54804722e-69]]
stress =  [-8.60407035e-12 -8.60407035e-12  1.69336808e-53 -1.21800935e-48
 -7.79618375e-34  1.07056499e-27]
energy per atom =  -7.395519132241434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0