element(s):
['C']
AFLOW prototype label:
A_hP2_191_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.4677', '1.6162824']
Parameter values for parameter set 1:
['2.4647', '1.3417049']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 3.9885]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:43      -14.712816         1.610670
BFGS:    1 18:00:43      -14.768775         0.832985
BFGS:    2 18:00:43      -14.790845         0.074988
BFGS:    3 18:00:43      -14.791038         0.004004
BFGS:    4 18:00:43      -14.791038         0.000021
BFGS:    5 18:00:43      -14.791038         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.4401745882391921e-31 eV/Angstrom
Maximum stress component: 5.434895204374543e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.28605568e-39]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.529678468881414, -1.3932796726783844e-17, 4.36275434107701e-55], [-1.264839234440707, 2.190765817457826, 5.527698052546099e-45], [-5.301437061050581e-54, -2.861887802677868e-38, 3.988499999999999]])
forces =  [[ 8.31485186e-32 -1.44017459e-31  8.67539229e-55]
 [-8.31485186e-32  1.44017459e-31 -8.67539229e-55]]
stress =  [-5.43489520e-10 -5.43489520e-10  2.35491208e-77 -3.89972679e-48
 -3.19452075e-64  7.59889323e-26]
energy per atom =  -7.3955191322414375
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4647, 0, 0], [-1.23235, 2.1344928127075, 0], [0, 0, 3.3069]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:45      -14.704774         1.694941
BFGS:    1 18:00:45      -14.766630         0.872615
BFGS:    2 18:00:45      -14.790808         0.081907
BFGS:    3 18:00:45      -14.791038         0.004566
BFGS:    4 18:00:46      -14.791038         0.000026
BFGS:    5 18:00:46      -14.791038         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.4944555584952783e-31 eV/Angstrom
Maximum stress component: 9.339557655210144e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 9.36477166e-37]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.529678468775346, 8.649964324633736e-18, -3.6308767060969377e-84], [-1.264839234387673, 2.19076581736597, 1.556611203685634e-84], [3.781587989083733e-43, 6.549902530385246e-43, 3.3068999999999975]])
forces =  [[-2.49445556e-31  1.44017459e-31 -7.36547135e-52]
 [ 2.49445556e-31 -1.44017459e-31  7.36547135e-52]]
stress =  [-9.33955766e-10 -9.33955766e-10  5.66365001e-71  1.84986520e-52
  1.06802017e-52 -5.95622939e-26]
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
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1