element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:42:23      -37.196777        22.981377
BFGS:    1 09:42:23      -39.038234        13.847891
BFGS:    2 09:42:23      -39.943198         4.390699
BFGS:    3 09:42:24      -40.106515         3.373647
BFGS:    4 09:42:24      -40.429486         3.095746
BFGS:    5 09:42:24      -40.725177         2.828285
BFGS:    6 09:42:24      -40.994729         2.571292
BFGS:    7 09:42:24      -41.239103         2.324133
BFGS:    8 09:42:24      -41.459258         2.086276
BFGS:    9 09:42:24      -41.656105         1.857378
BFGS:   10 09:42:24      -41.830519         1.637084
BFGS:   11 09:42:24      -41.983342         1.425067
BFGS:   12 09:42:24      -42.115385         1.221017
BFGS:   13 09:42:24      -42.227428         1.024643
BFGS:   14 09:42:24      -42.320223         0.835669
BFGS:   15 09:42:24      -42.394495         0.653835
BFGS:   16 09:42:24      -42.450945         0.478889
BFGS:   17 09:42:24      -42.490246         0.310594
BFGS:   18 09:42:24      -42.513049         0.148716
BFGS:   19 09:42:24      -42.519994         0.006465
BFGS:   20 09:42:24      -42.520004         0.001102
BFGS:   21 09:42:24      -42.520004         0.000991
BFGS:   22 09:42:24      -42.520004         0.001209
BFGS:   23 09:42:24      -42.520004         0.001213
BFGS:   24 09:42:24      -42.520005         0.000824
BFGS:   25 09:42:24      -42.520005         0.000284
BFGS:   26 09:42:24      -42.520005         0.000074
BFGS:   27 09:42:24      -42.520005         0.000006
BFGS:   28 09:42:24      -42.520005         0.000001
BFGS:   29 09:42:24      -42.520005         0.000000
BFGS:   30 09:42:24      -42.520005         0.000000
Minimization converged after 30 steps.
Maximum force component: 6.092570892235472e-12 eV/Angstrom
Maximum stress component: 2.3688853767632754e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [1.47654991e-35 9.16666667e-01 7.50454830e-01]
 [1.57109403e-35 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.751369871407735, 6.770664561801555e-39, 0.0], [5.822717950912895e-39, 4.765512407618031, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-7.44417785e-51 -6.09257089e-12  0.00000000e+00]
 [ 7.44417785e-51  6.09257089e-12  0.00000000e+00]
 [-7.44417785e-51 -6.09257089e-12  0.00000000e+00]
 [ 7.44417785e-51  6.09257089e-12  0.00000000e+00]
 [-7.44417785e-51 -6.09257089e-12  0.00000000e+00]
 [ 7.44417785e-51  6.09257089e-12  0.00000000e+00]
 [-7.44417785e-51 -6.09257089e-12  0.00000000e+00]
 [ 7.44417785e-51  6.09257089e-12  0.00000000e+00]]
stress =  [-1.00856262e-11 -2.36888538e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -1.17509206e-34]
energy per atom =  -5.315000584088764
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_aP2_2_i. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.