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_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 16:54:39      -57.907090         2.721799
BFGS:    1 16:54:39      -58.107590         2.448316
BFGS:    2 16:54:39      -58.334886         2.121951
BFGS:    3 16:54:39      -58.525532         1.802249
BFGS:    4 16:54:39      -58.687097         1.457291
BFGS:    5 16:54:39      -58.815022         1.110710
BFGS:    6 16:54:39      -58.909539         0.787892
BFGS:    7 16:54:39      -58.971835         0.464448
BFGS:    8 16:54:39      -59.002179         0.145528
BFGS:    9 16:54:39      -59.005501         0.001096
BFGS:   10 16:54:39      -59.005502         0.000063
BFGS:   11 16:54:39      -59.005502         0.000054
BFGS:   12 16:54:39      -59.005502         0.000038
BFGS:   13 16:54:39      -59.005502         0.000019
BFGS:   14 16:54:39      -59.005502         0.000002
BFGS:   15 16:54:39      -59.005502         0.000000
BFGS:   16 16:54:39      -59.005502         0.000000
BFGS:   17 16:54:39      -59.005502         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.281116336025864e-09 eV/Angstrom
Maximum stress component: 1.0839940375314501e-10 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]
 [6.08021578e-35 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [4.10225185e-34 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([[2.5946065254702293, -1.3427190696423432e-37, 0.0], [-1.982452142827801e-37, 4.493990327913637, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-5.65144035e-47  1.28111634e-09  0.00000000e+00]
 [ 5.65144035e-47 -1.28111634e-09  0.00000000e+00]
 [-5.65144035e-47  1.28111634e-09  0.00000000e+00]
 [ 5.65144035e-47 -1.28111634e-09  0.00000000e+00]
 [-5.65144035e-47  1.28111634e-09  0.00000000e+00]
 [ 5.65144035e-47 -1.28111634e-09  0.00000000e+00]
 [-5.65144035e-47  1.28111634e-09  0.00000000e+00]
 [ 5.65144035e-47 -1.28111634e-09  0.00000000e+00]]
stress =  [-7.78512892e-11  1.08399404e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -5.28550910e-34]
energy per atom =  -7.375687694255817
===============================================
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.