element(s):
['Si']
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:
['3.8496', '1.6527431', '0.56294015']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:28      -18.505934         0.410418
BFGS:    1 15:39:28      -18.508982         0.346611
BFGS:    2 15:39:29      -18.515744         0.131647
BFGS:    3 15:39:29      -18.516720         0.105049
BFGS:    4 15:39:29      -18.517871         0.042620
BFGS:    5 15:39:29      -18.517938         0.041391
BFGS:    6 15:39:29      -18.518352         0.014838
BFGS:    7 15:39:29      -18.518378         0.005420
BFGS:    8 15:39:29      -18.518380         0.000315
BFGS:    9 15:39:29      -18.518380         0.000011
BFGS:   10 15:39:29      -18.518380         0.000000
BFGS:   11 15:39:29      -18.518380         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.672827179698972e-09 eV/Angstrom
Maximum stress component: 2.103355374948106e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.84100773954065, -2.2841476523672135e-18, 6.5326978817910325e-37], [-1.920503869770325, 3.326410278574845, -6.069914734713066e-37], [1.9252534476992408e-36, 5.7821731738314644e-36, 6.272339372863972]])
forces =  [[-6.31254342e-32  1.09336459e-31 -6.67282718e-09]
 [-3.94533964e-31  2.73341148e-32 -6.67282718e-09]
 [ 1.26250868e-31 -2.18672919e-31  6.67282718e-09]
 [ 1.42032227e-31 -2.73341148e-32  6.67282718e-09]]
stress =  [ 2.10335537e-10  2.10335537e-10 -1.14324077e-10  3.93843641e-33
  1.13367321e-46 -2.15462518e-26]
energy per atom =  -4.629594992778369
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0