element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:59      -29.855050        0.6659
BFGS:    1 15:24:59      -29.860340        0.5023
BFGS:    2 15:24:59      -29.868468        0.3596
BFGS:    3 15:24:59      -29.877589        0.0681
BFGS:    4 15:24:59      -29.877719        0.0583
BFGS:    5 15:24:59      -29.878033        0.0175
BFGS:    6 15:24:59      -29.878048        0.0049
BFGS:    7 15:24:59      -29.878049        0.0002
BFGS:    8 15:24:59      -29.878049        0.0000
BFGS:    9 15:24:59      -29.878049        0.0000
BFGS:   10 15:24:59      -29.878049        0.0000
Minimization converged after 10 steps.
Maximum force component: 2.813383304101081e-09 eV/Angstrom
Maximum stress component: 3.1645032177567265e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.5161189734059475, 1.0139100154511915e-18, -1.284589833370119e-37], [-1.2580594867029737, 2.1790229499135743, -1.3707596614339278e-37], [3.593842570811393e-36, 1.5911456190547123e-35, 4.108805077796661]])
forces =  [[-3.72162730e-31  2.14868252e-31 -2.81338330e-09]
 [ 1.32324526e-30 -1.08943679e-44 -2.81338330e-09]
 [ 5.37568387e-31 -7.87850258e-31  2.81338330e-09]
 [ 2.46077789e-45  1.08949012e-44  2.81338330e-09]]
stress =  [ 7.49460337e-11  7.49460337e-11 -3.16450322e-10 -1.37671206e-33
  7.94845078e-34  2.69315552e-26]
energy per atom =  -7.469512181996501
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0