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 16:26:20      -18.505934         0.410418
BFGS:    1 16:26:20      -18.508982         0.346611
BFGS:    2 16:26:20      -18.515744         0.131647
BFGS:    3 16:26:20      -18.516720         0.105049
BFGS:    4 16:26:20      -18.517871         0.042620
BFGS:    5 16:26:20      -18.517938         0.041391
BFGS:    6 16:26:20      -18.518352         0.014838
BFGS:    7 16:26:20      -18.518378         0.005420
BFGS:    8 16:26:20      -18.518380         0.000315
BFGS:    9 16:26:20      -18.518380         0.000011
BFGS:   10 16:26:20      -18.518380         0.000000
BFGS:   11 16:26:20      -18.518380         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.672868479995487e-09 eV/Angstrom
Maximum stress component: 2.1033783247389362e-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([[3.8410077395406503, -1.9413628675454853e-18, 1.8815458834697e-37], [-1.9205038697703252, 3.3264102785748455, -3.581531035206467e-37], [2.2515572479897628e-40, -3.941556081167879e-36, 6.272339372863973]])
forces =  [[ 2.90376997e-30 -4.37345837e-31 -6.67286848e-09]
 [ 7.57505211e-31 -1.31203751e-30 -6.67286848e-09]
 [-3.15627171e-31  3.28009378e-31  6.67286848e-09]
 [ 7.57505211e-31 -1.31203751e-30  6.67286848e-09]]
stress =  [ 2.10337832e-10  2.10337832e-10 -1.14322787e-10 -2.52059931e-32
  1.51816538e-46 -3.52505689e-26]
energy per atom =  -4.629594992778396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0