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 16:16:51      -21.910102         2.313973
BFGS:    1 16:16:51      -22.106091         1.966291
BFGS:    2 16:16:51      -22.353812         1.545925
BFGS:    3 16:16:51      -22.549475         1.183153
BFGS:    4 16:16:51      -22.695726         0.857132
BFGS:    5 16:16:51      -22.795766         0.559496
BFGS:    6 16:16:51      -22.853224         0.286284
BFGS:    7 16:16:51      -22.871828         0.054888
BFGS:    8 16:16:51      -22.872059         0.072374
BFGS:    9 16:16:51      -22.872250         0.078114
BFGS:   10 16:16:51      -22.872745         0.075756
BFGS:   11 16:16:51      -22.873240         0.052189
BFGS:   12 16:16:51      -22.873529         0.017256
BFGS:   13 16:16:51      -22.873583         0.002980
BFGS:   14 16:16:51      -22.873586         0.000708
BFGS:   15 16:16:51      -22.873586         0.000256
BFGS:   16 16:16:51      -22.873586         0.000100
BFGS:   17 16:16:51      -22.873586         0.000009
BFGS:   18 16:16:51      -22.873586         0.000001
BFGS:   19 16:16:51      -22.873586         0.000000
BFGS:   20 16:16:51      -22.873586         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.9947412610576976e-09 eV/Angstrom
Maximum stress component: 1.4609277907489672e-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, -2.4796505690870614e-17, -5.9709855450772615e-37], [-1.3654319384400764, 2.364997491655474, -8.609745279087275e-37], [1.8750996496709383e-36, -1.2389423902156168e-35, 4.459482036756375]])
forces =  [[-4.48806615e-31  4.66413516e-31 -1.99474126e-09]
 [-5.38567937e-31  6.21884687e-31 -1.99474126e-09]
 [-4.48806615e-31 -1.55471172e-31  1.99474126e-09]
 [-7.18090583e-31 -3.10942344e-31  1.99474126e-09]]
stress =  [ 1.46092779e-10  1.46092779e-10 -7.25851892e-11 -7.79137482e-33
 -2.69901141e-33  1.58811136e-28]
energy per atom =  -5.718396512969073
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0