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 18:00:44      -14.712816         1.610670
BFGS:    1 18:00:44      -14.768775         0.832985
BFGS:    2 18:00:44      -14.790845         0.074988
BFGS:    3 18:00:44      -14.791038         0.004004
BFGS:    4 18:00:44      -14.791038         0.000021
BFGS:    5 18:00:44      -14.791038         0.000000
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 8.81057254e-39]
 [6.66666663e-01 3.33333337e-01 7.28806498e-37]]
cellpar =  Cell([[2.529678468881414, -9.688061699091733e-18, 1.7450979255260757e-53], [-1.264839234440707, 2.190765817457826, 4.4221584427349185e-44], [-4.840432204137071e-41, -2.2892307796586893e-37, 3.988499999999999]])
forces =  [[-1.66297037e-31  6.36877760e-49 -1.14719961e-84]
 [ 4.98891112e-31 -5.76069835e-31 -1.16282264e-74]]
stress =  [-5.43489628e-10 -5.43489628e-10  7.38100047e-72 -3.11940124e-47
 -6.59577460e-51  1.02081361e-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 18:00:46      -14.704774         1.694941
BFGS:    1 18:00:46      -14.766630         0.872615
BFGS:    2 18:00:46      -14.790808         0.081907
BFGS:    3 18:00:46      -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: 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 4.81747834e-59]
 [6.66666663e-01 3.33333337e-01 1.17549435e-37]]
cellpar =  Cell([[2.529678468775346, 8.649964324633736e-18, 2.915087074076079e-42], [-1.264839234387673, 2.19076581736597, -2.91508707412145e-42], [-2.4849273264721657e-38, 1.4346734608553585e-38, 3.3068999999999975]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.33955880e-10 -9.33955880e-10  1.63120188e-73  4.05189668e-48
 -7.01809092e-48 -1.91732041e-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