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 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: 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 3.76158192e-37]
 [6.66666663e-01 3.33333337e-01 3.91831880e-38]]
cellpar =  Cell([[2.529678468881414, -1.3932796726783844e-17, 5.361413598193061e-43], [-1.264839234440707, 2.190765817457826, -5.361413598184338e-43], [-3.7191768905794645e-38, 2.1472677789398917e-38, 3.988499999999999]])
forces =  [[ 8.31485186e-32 -1.44017459e-31 -2.22090043e-52]
 [-8.31485186e-32  1.44017459e-31  2.22090043e-52]]
stress =  [-5.43489520e-10 -5.43489520e-10  1.61677852e-72  2.92595596e-48
 -5.06790439e-48  7.10826524e-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: 2.4944555584952783e-31 eV/Angstrom
Maximum stress component: 9.339557655210144e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.529678468775346, 8.649964324633736e-18, -3.8431578917024084e-53], [-1.264839234387673, 2.19076581736597, -2.3389327038365244e-41], [-4.840432626026587e-41, 4.65627809821154e-37, 3.3068999999999975]])
forces =  [[-2.49445556e-31  1.44017459e-31 -1.53757714e-72]
 [ 2.49445556e-31 -1.44017459e-31  1.53757714e-72]]
stress =  [-9.33955766e-10 -9.33955766e-10  5.85199544e-72  1.31505572e-46
 -1.36706582e-50 -3.47416994e-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