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 16:45:22      -57.907090        2.7218
BFGS:    1 16:45:22      -58.107590        2.4483
BFGS:    2 16:45:22      -58.334886        2.1220
BFGS:    3 16:45:22      -58.525532        1.8022
BFGS:    4 16:45:22      -58.687097        1.4573
BFGS:    5 16:45:22      -58.815022        1.1107
BFGS:    6 16:45:22      -58.909539        0.7879
BFGS:    7 16:45:22      -58.971835        0.4644
BFGS:    8 16:45:22      -59.002179        0.1455
BFGS:    9 16:45:22      -59.005501        0.0011
BFGS:   10 16:45:22      -59.005502        0.0001
BFGS:   11 16:45:22      -59.005502        0.0001
BFGS:   12 16:45:22      -59.005502        0.0000
BFGS:   13 16:45:22      -59.005502        0.0000
BFGS:   14 16:45:22      -59.005502        0.0000
BFGS:   15 16:45:22      -59.005502        0.0000
BFGS:   16 16:45:22      -59.005502        0.0000
BFGS:   17 16:45:22      -59.005502        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.281109236094268e-09 eV/Angstrom
Maximum stress component: 1.0839918202896893e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[7.52316743e-37 4.16666667e-01 2.49545170e-01]
 [1.20775432e-36 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [4.58507606e-36 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, -1.236753783847259e-37, 0.0], [-2.1733132157822745e-37, 4.493990327913637, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-6.39619891e-32  1.28110924e-09  0.00000000e+00]
 [ 6.39619891e-32 -1.28110924e-09  0.00000000e+00]
 [-6.19549984e-47  1.28110924e-09  0.00000000e+00]
 [-1.27923978e-31 -1.28110924e-09  0.00000000e+00]
 [-1.27923978e-31  1.28110924e-09  0.00000000e+00]
 [ 1.59904973e-31 -1.28110924e-09  0.00000000e+00]
 [-6.19549984e-47  1.28110924e-09  0.00000000e+00]
 [ 6.19549984e-47 -1.28110924e-09  0.00000000e+00]]
stress =  [-7.78511646e-11  1.08399182e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -1.32137727e-34]
energy per atom =  -7.3756876942558165
===============================================
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.