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 16:59:02        7.472756        19.692950
BFGS:    1 16:59:02      -10.166492         3.780707
BFGS:    2 16:59:02      -10.251291         3.360414
BFGS:    3 16:59:02      -10.505983         1.783145
BFGS:    4 16:59:02      -10.617139         0.482640
BFGS:    5 16:59:02      -10.627153         0.062297
BFGS:    6 16:59:02      -10.627331         0.002663
BFGS:    7 16:59:02      -10.627331         0.000016
BFGS:    8 16:59:02      -10.627331         0.000000
Minimization converged after 8 steps.
Maximum force component: 9.740012542615187e-31 eV/Angstrom
Maximum stress component: 3.4680670151879304e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 4.04759975e-36]]
cellpar =  Cell([[2.693876235463991, -2.1381505012205517e-17, 4.0239019355618725e-36], [-1.3469381177319955, 2.332965254563007, -5.7565651145614284e-36], [2.3412197933631503e-38, -1.4477146124367737e-35, 3.988499999999999]])
forces =  [[ 4.42727843e-31  4.60096271e-31 -1.77672034e-51]
 [ 9.74001254e-31 -4.60096271e-31  1.77672034e-51]]
stress =  [-3.46806702e-10 -3.46806702e-10 -1.98953772e-70 -1.25881191e-45
  2.03572951e-48 -8.67091278e-26]
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        7.568929        19.837519
BFGS:    1 16:59:03      -10.147422         3.866537
BFGS:    2 16:59:03      -10.235774         3.435534
BFGS:    3 16:59:03      -10.497471         1.848286
BFGS:    4 16:59:03      -10.614683         0.538776
BFGS:    5 16:59:03      -10.627097         0.071218
BFGS:    6 16:59:03      -10.627331         0.003374
BFGS:    7 16:59:03      -10.627331         0.000023
BFGS:    8 16:59:03      -10.627331         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.3004813530414063e-31 eV/Angstrom
Maximum stress component: 7.691078640917667e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 2.15201179e-38]]
cellpar =  Cell([[2.6938762352728016, -5.063610910831818e-17, 4.297874084183727e-53], [-1.3469381176364008, 2.3329652543974304, 4.256480968929905e-39], [-9.090795319192197e-41, -5.104422594358587e-37, 3.3068999999999997]])
forces =  [[ 4.42727843e-32 -7.66827118e-32 -9.20683919e-53]
 [ 2.21363921e-31 -2.30048135e-31  9.20683919e-53]]
stress =  [-7.69107864e-10 -7.69107864e-10 -1.25766414e-72 -1.18716972e-46
 -2.11430711e-50 -2.11198670e-25]
energy per atom =  -5.313665613007525
===============================================
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