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 15:24:59      -21.910102        2.3140
BFGS:    1 15:24:59      -22.106091        1.9663
BFGS:    2 15:24:59      -22.353812        1.5459
BFGS:    3 15:24:59      -22.549475        1.1832
BFGS:    4 15:24:59      -22.695726        0.8571
BFGS:    5 15:24:59      -22.795766        0.5595
BFGS:    6 15:24:59      -22.853224        0.2863
BFGS:    7 15:24:59      -22.871828        0.0549
BFGS:    8 15:24:59      -22.872059        0.0724
BFGS:    9 15:24:59      -22.872250        0.0781
BFGS:   10 15:24:59      -22.872745        0.0758
BFGS:   11 15:24:59      -22.873240        0.0522
BFGS:   12 15:24:59      -22.873529        0.0173
BFGS:   13 15:25:00      -22.873583        0.0030
BFGS:   14 15:25:00      -22.873586        0.0007
BFGS:   15 15:25:00      -22.873586        0.0003
BFGS:   16 15:25:00      -22.873586        0.0001
BFGS:   17 15:25:00      -22.873586        0.0000
BFGS:   18 15:25:00      -22.873586        0.0000
BFGS:   19 15:25:00      -22.873586        0.0000
BFGS:   20 15:25:00      -22.873586        0.0000
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