element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:15      -25.599164        1.0772
BFGS:    1 15:41:15      -25.636515        0.8924
BFGS:    2 15:41:15      -25.716916        0.3610
BFGS:    3 15:41:15      -25.735143        0.0708
BFGS:    4 15:41:15      -25.735395        0.0192
BFGS:    5 15:41:15      -25.735411        0.0211
BFGS:    6 15:41:15      -25.735434        0.0182
BFGS:    7 15:41:15      -25.735453        0.0123
BFGS:    8 15:41:15      -25.735460        0.0053
BFGS:    9 15:41:15      -25.735461        0.0008
BFGS:   10 15:41:15      -25.735461        0.0000
BFGS:   11 15:41:15      -25.735461        0.0000
BFGS:   12 15:41:15      -25.735461        0.0000
BFGS:   13 15:41:15      -25.735461        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.1944170097422104e-09 eV/Angstrom
Maximum stress component: 2.3796182696000334e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000004e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.026135526949312, -5.304763275853197e-18, 7.411606440633059e-38], [-1.513067763474656, 2.620710241632712, 6.446847698119398e-38], [9.406279964321187e-37, -6.265762289766791e-36, 4.9416586224458845]])
forces =  [[ 5.96800003e-31 -3.44562642e-31 -1.19441701e-09]
 [-5.96800003e-31  5.16843963e-31 -1.19441701e-09]
 [-7.83300004e-31 -1.07675826e-31  1.19441390e-09]
 [-1.98933334e-31 -6.89125285e-31  1.19441390e-09]]
stress =  [-1.26950890e-12 -1.26950890e-12 -2.37961827e-12  2.09730029e-47
  8.09086137e-48 -1.31026608e-30]
energy per atom =  -6.433865163222423
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0