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_1988_C__MO_579868029681_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 14:44:48      -14.712816        1.6107
BFGS:    1 14:44:48      -14.768775        0.8330
BFGS:    2 14:44:48      -14.790845        0.0750
BFGS:    3 14:44:48      -14.791038        0.0040
BFGS:    4 14:44:48      -14.791038        0.0000
BFGS:    5 14:44:48      -14.791038        0.0000
Minimization converged after 5 steps.
Maximum force component: 5.760698352956769e-31 eV/Angstrom
Maximum stress component: 5.434896279074529e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.05007519e-36]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.529678468881414, -9.688061699091733e-18, 5.527698057781389e-45], [-1.264839234440707, 2.190765817457826, -5.527698063016697e-45], [-2.4796776479508916e-38, 1.4330398699659725e-38, 3.988499999999999]])
forces =  [[-1.66297037e-31  6.36877760e-49 -3.63382074e-76]
 [ 4.98891112e-31 -5.76069835e-31  1.81691037e-75]]
stress =  [-5.43489628e-10 -5.43489628e-10  6.00208737e-71  1.95271983e-48
 -3.37891208e-48  2.78584670e-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 14:44:49      -14.704774        1.6949
BFGS:    1 14:44:49      -14.766630        0.8726
BFGS:    2 14:44:49      -14.790808        0.0819
BFGS:    3 14:44:49      -14.791038        0.0046
BFGS:    4 14:44:49      -14.791038        0.0000
BFGS:    5 14:44:49      -14.791038        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.33955879849211e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.25386064e-36]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.529678468775346, 8.649964324633736e-18, 4.159420945413475e-45], [-1.264839234387673, 2.19076581736597, -4.1594209446241783e-45], [-1.2392456245999117e-38, 7.266572952733495e-39, 3.3068999999999975]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.33955880e-10 -9.33955880e-10  2.10135505e-71  2.05227208e-48
 -3.49995687e-48 -2.18916654e-25]
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