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_1994_SiC__MO_794973922560_000
==== 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 16:59:02       -9.692247         5.764117
BFGS:    1 16:59:02      -10.166492         3.780707
BFGS:    2 16:59:02      -10.459512         2.131238
BFGS:    3 16:59:02      -10.602299         0.768762
BFGS:    4 16:59:02      -10.626767         0.111013
BFGS:    5 16:59:02      -10.627329         0.007244
BFGS:    6 16:59:02      -10.627331         0.000075
BFGS:    7 16:59:02      -10.627331         0.000000
BFGS:    8 16:59:02      -10.627331         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.328183528650817e-31 eV/Angstrom
Maximum stress component: 3.2001454937642343e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.6938762356919295, -3.9126526353492786e-17, -6.382582616651546e-38], [-1.3469381178459647, 2.332965254760407, 6.127071658417371e-38], [6.19481823538533e-36, -3.4620926791879835e-36, 3.988499999999999]])
forces =  [[-1.32818353e-31  7.66827118e-32  4.11182383e-69]
 [ 1.32818353e-31 -7.66827118e-32 -4.11182383e-69]]
stress =  [-3.20014549e-14 -3.20014549e-14 -2.76654089e-71 -2.77778621e-50
  4.97036973e-50  2.72206355e-30]
energy per atom =  -5.313665613007522
===============================================
==== 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 16:59:03       -9.663960         5.862853
BFGS:    1 16:59:03      -10.147422         3.866537
BFGS:    2 16:59:03      -10.448434         2.205451
BFGS:    3 16:59:03      -10.598111         0.832544
BFGS:    4 16:59:03      -10.626640         0.122806
BFGS:    5 16:59:03      -10.627328         0.008606
BFGS:    6 16:59:03      -10.627331         0.000099
BFGS:    7 16:59:03      -10.627331         0.000000
BFGS:    8 16:59:03      -10.627331         0.000000
Minimization converged after 8 steps.
Maximum force component: 3.984550585952415e-31 eV/Angstrom
Maximum stress component: 8.492343321979243e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[0.33333333 0.66666667 0.        ]
 [0.66666666 0.33333334 0.        ]]
cellpar =  Cell([[2.693876235691905, -1.2219434998869286e-17, 1.2745776424377513e-38], [-1.3469381178459525, 2.3329652547603854, 1.2773600446086034e-38], [-6.058132929147878e-36, -1.0706854311e-35, 3.3068999999999957]])
forces =  [[-3.98455059e-31  7.66827118e-32 -4.60341959e-53]
 [ 4.42727843e-32 -7.66827118e-32  4.60341959e-53]]
stress =  [-8.49234332e-14 -8.49234332e-14 -3.16055845e-73 -2.74959275e-49
 -1.55576959e-49  1.84628837e-29]
energy per atom =  -5.313665613007517
===============================================
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