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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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 14:31:36      -21.910102         2.313973
BFGS:    1 14:31:36      -22.106091         1.966291
BFGS:    2 14:31:36      -22.353812         1.545925
BFGS:    3 14:31:36      -22.549475         1.183153
BFGS:    4 14:31:36      -22.695726         0.857132
BFGS:    5 14:31:36      -22.795766         0.559496
BFGS:    6 14:31:36      -22.853224         0.286284
BFGS:    7 14:31:36      -22.871828         0.054888
BFGS:    8 14:31:36      -22.872059         0.072374
BFGS:    9 14:31:36      -22.872250         0.078114
BFGS:   10 14:31:36      -22.872745         0.075756
BFGS:   11 14:31:36      -22.873240         0.052189
BFGS:   12 14:31:36      -22.873529         0.017256
BFGS:   13 14:31:36      -22.873583         0.002980
BFGS:   14 14:31:36      -22.873586         0.000708
BFGS:   15 14:31:36      -22.873586         0.000256
BFGS:   16 14:31:36      -22.873586         0.000100
BFGS:   17 14:31:36      -22.873586         0.000009
BFGS:   18 14:31:36      -22.873586         0.000001
BFGS:   19 14:31:36      -22.873586         0.000000
BFGS:   20 14:31:36      -22.873586         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.9947374862994134e-09 eV/Angstrom
Maximum stress component: 1.4609136053073836e-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([[2.7308638768801528, -2.4543643950205608e-17, 4.347415531482207e-38], [-1.3654319384400764, 2.364997491655472, -1.617788158408485e-36], [-2.8354523534512218e-36, 1.2498164305939781e-36, 4.459482036756373]])
forces =  [[ 1.57082315e-31 -2.72074551e-31 -1.99473749e-09]
 [ 3.25384796e-31  3.69244033e-31 -1.99473749e-09]
 [-2.91724299e-31 -1.16603379e-31  1.99473749e-09]
 [ 1.23421819e-31 -5.83016894e-32  1.99473749e-09]]
stress =  [ 1.46091361e-10  1.46091361e-10 -7.25867812e-11 -5.06439363e-33
  2.02425856e-33 -7.86407282e-26]
energy per atom =  -5.718396512969076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0