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_1990_SiC__MO_444207127575_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 15:36:52        7.472756        19.692950
BFGS:    1 15:36:52      -10.166492         3.780707
BFGS:    2 15:36:52      -10.251291         3.360414
BFGS:    3 15:36:52      -10.505983         1.783145
BFGS:    4 15:36:52      -10.617139         0.482640
BFGS:    5 15:36:52      -10.627153         0.062297
BFGS:    6 15:36:52      -10.627331         0.002663
BFGS:    7 15:36:52      -10.627331         0.000016
BFGS:    8 15:36:52      -10.627331         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.4167290971076645e-30 eV/Angstrom
Maximum stress component: 3.468055593310651e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 4.01235812e-36]
 [6.66666663e-01 3.33333337e-01 1.95244718e-36]]
cellpar =  Cell([[2.6938762354639927, -3.1939226510931945e-17, 4.4527555459760204e-43], [-1.3469381177319963, 2.3329652545630077, 3.4682485976776523e-38], [-1.1651547936392987e-38, -1.5964589200518105e-36, 3.988499999999999]])
forces =  [[ 1.41672910e-30 -1.22692339e-30 -4.44180085e-52]
 [-1.41672910e-30  1.22692339e-30  4.44180085e-52]]
stress =  [-3.46805559e-10 -3.46805559e-10 -2.30056361e-71 -1.38814298e-46
 -1.01311811e-48 -2.46799186e-26]
energy per atom =  -5.313665613007519
===============================================
==== 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 15:36:53        7.568929        19.837519
BFGS:    1 15:36:53      -10.147422         3.866537
BFGS:    2 15:36:53      -10.235774         3.435534
BFGS:    3 15:36:53      -10.497471         1.848286
BFGS:    4 15:36:53      -10.614683         0.538776
BFGS:    5 15:36:53      -10.627097         0.071218
BFGS:    6 15:36:53      -10.627331         0.003374
BFGS:    7 15:36:53      -10.627331         0.000023
BFGS:    8 15:36:53      -10.627331         0.000000
Minimization converged after 8 steps.
Maximum force component: 8.85455685629447e-32 eV/Angstrom
Maximum stress component: 7.691097515320288e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 3.16499558e-37]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.6938762352728007, -3.64083316493808e-17, 3.4767881786335867e-37], [-1.3469381176364004, 2.3329652543974304, -3.4082490188636064e-37], [-1.2625381444213174e-35, 6.399249610808561e-36, 3.3068999999999997]])
forces =  [[ 8.85455686e-32 -1.19671289e-48  1.14279261e-68]
 [-8.85455686e-32  1.19671289e-48 -1.14279261e-68]]
stress =  [-7.69109752e-10 -7.69109752e-10 -4.50309199e-73  1.48831996e-45
 -2.93637666e-45  9.35046164e-26]
energy per atom =  -5.3136656130075215
===============================================
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