element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:52      -40.519800         2.057267
BFGS:    1 16:33:52      -40.696346         1.947887
BFGS:    2 16:33:52      -40.974916         1.767573
BFGS:    3 16:33:52      -41.226968         1.594258
BFGS:    4 16:33:52      -41.453529         1.427647
BFGS:    5 16:33:52      -41.655583         1.267464
BFGS:    6 16:33:52      -41.834077         1.113455
BFGS:    7 16:33:52      -41.989916         0.965377
BFGS:    8 16:33:52      -42.123975         0.823005
BFGS:    9 16:33:52      -42.237092         0.686126
BFGS:   10 16:33:52      -42.330077         0.554539
BFGS:   11 16:33:52      -42.403709         0.428055
BFGS:   12 16:33:52      -42.458740         0.306493
BFGS:   13 16:33:52      -42.495895         0.189682
BFGS:   14 16:33:52      -42.515874         0.077459
BFGS:   15 16:33:52      -42.520000         0.002595
BFGS:   16 16:33:52      -42.520005         0.000037
BFGS:   17 16:33:52      -42.520005         0.000000
BFGS:   18 16:33:52      -42.520005         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.2764123075289625e-31 eV/Angstrom
Maximum stress component: 1.2884661629045555e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.492968185742457, 7.612205315065671e-33, -1.3809520247013274e-33], [2.664762127395984e-33, 4.492968185742457, 1.5122553990540252e-17], [-5.7702098496161874e-33, 1.5122553990540274e-17, 4.492968185742457]])
forces =  [[-1.47680290e-31 -7.38401448e-32  7.38401448e-32]
 [-5.53801086e-31 -7.38401448e-32 -1.47680290e-31]
 [-1.10760217e-31 -1.47680290e-31  1.84600362e-31]
 [ 1.29220253e-31  1.10760217e-31 -6.27641231e-31]
 [ 1.10760217e-31 -4.33810851e-31 -4.15350814e-32]
 [-4.74155517e-65  1.24266579e-49  3.69200724e-32]
 [-4.43040869e-31 -2.21520434e-31  1.47680290e-31]
 [ 2.81515552e-31  1.47680290e-31 -2.95360579e-31]]
stress =  [-1.28846616e-14 -1.28846616e-14 -1.28846616e-14 -2.62626756e-30
 -4.07063829e-34 -7.63965294e-50]
energy per atom =  -5.315000584088763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0