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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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 14:38:35       -7.303062        14.447396
BFGS:    1 14:38:35       -9.205049        11.031391
BFGS:    2 14:38:35      -10.491223         7.097353
BFGS:    3 14:38:35      -11.094642         3.437329
BFGS:    4 14:38:35      -11.261336         0.585527
BFGS:    5 14:38:35      -11.272911         0.068081
BFGS:    6 14:38:35      -11.272981         0.014410
BFGS:    7 14:38:35      -11.272983         0.006331
BFGS:    8 14:38:35      -11.272987         0.009214
BFGS:    9 14:38:35      -11.272998         0.018001
BFGS:   10 14:38:35      -11.273018         0.026704
BFGS:   11 14:38:35      -11.273049         0.033438
BFGS:   12 14:38:35      -11.273077         0.023887
BFGS:   13 14:38:35      -11.273087         0.007151
BFGS:   14 14:38:35      -11.273088         0.000570
BFGS:   15 14:38:35      -11.273088         0.000131
BFGS:   16 14:38:35      -11.273088         0.000079
BFGS:   17 14:38:35      -11.273088         0.000020
BFGS:   18 14:38:35      -11.273088         0.000002
BFGS:   19 14:38:35      -11.273088         0.000000
BFGS:   20 14:38:35      -11.273088         0.000000
BFGS:   21 14:38:35      -11.273088         0.000000
Minimization converged after 21 steps.
Maximum force component: 5.187406060258583e-12 eV/Angstrom
Maximum stress component: 5.349706493901213e-11 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([[3.694546349160721, 1.9031850967129324e-17, 1.0589878530691791e-35], [-1.8472731745803606, 3.199570993832236, 6.365608020693211e-37], [-2.082227596386694e-36, 4.139613236152304e-36, 6.033168924571887]])
forces =  [[-3.40023037e-30  8.41338824e-31  5.18740606e-12]
 [ 1.45724159e-30 -8.41338824e-31  5.18740606e-12]
 [ 1.51795999e-30 -9.46506176e-31 -5.18740606e-12]
 [-2.42873598e-30  2.52401647e-30 -5.18740606e-12]]
stress =  [-5.34970649e-11 -5.34970649e-11 -5.00905281e-11 -4.08661004e-32
 -2.35940540e-32  1.99244231e-26]
energy per atom =  -2.818271942675778
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0