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_GW_GaoWeber_2002_SiC__SM_606253546840_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 18:20:52      -40.589715        1.9932
BFGS:    1 18:20:52      -40.755643        1.8920
BFGS:    2 18:20:52      -41.026404        1.7192
BFGS:    3 18:20:52      -41.271692        1.5523
BFGS:    4 18:20:52      -41.492399        1.3914
BFGS:    5 18:20:52      -41.689392        1.2361
BFGS:    6 18:20:52      -41.863513        1.0864
BFGS:    7 18:20:52      -42.015579        0.9420
BFGS:    8 18:20:52      -42.146386        0.8029
BFGS:    9 18:20:52      -42.256703        0.6688
BFGS:   10 18:20:52      -42.347282        0.5397
BFGS:   11 18:20:52      -42.418850        0.4153
BFGS:   12 18:20:52      -42.472113        0.2956
BFGS:   13 18:20:52      -42.507756        0.1804
BFGS:   14 18:20:52      -42.526448        0.0695
BFGS:   15 18:20:52      -42.529810        0.0022
BFGS:   16 18:20:52      -42.529814        0.0000
BFGS:   17 18:20:52      -42.529814        0.0000
BFGS:   18 18:20:52      -42.529814        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.8747214111663074e-31 eV/Angstrom
Maximum stress component: 5.796254527945013e-15 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([[4.49078210064653, -1.0559343290411298e-32, 1.996974998411612e-32], [-1.8721865967960133e-32, 4.49078210064653, 2.2309624548528798e-17], [-2.9941749337702557e-33, 2.2309624548528835e-17, 4.49078210064653]])
forces =  [[-2.21412652e-31 -1.47608435e-31 -3.06748778e-31]
 [ 1.47608435e-31  1.66059489e-31 -1.47608435e-31]
 [ 3.87472141e-31 -1.29157380e-31  2.21412652e-31]
 [ 2.58314761e-31  1.47608435e-31  1.47608435e-31]
 [-9.01564715e-64  2.39863706e-31 -1.47608435e-31]
 [ 3.69021087e-31 -2.21412652e-31 -2.58314761e-31]
 [ 1.84510543e-31 -1.29157380e-31  2.99829633e-32]
 [ 2.21412652e-31 -2.21412652e-31 -3.69021087e-31]]
stress =  [-5.79625453e-15 -5.79625453e-15 -5.79625453e-15 -1.17642650e-31
 -2.85222167e-33  2.26473029e-50]
energy per atom =  -5.316226690823466
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0