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 15:54:48      -37.196777        22.981377
BFGS:    1 15:54:48      -39.038234        13.847891
BFGS:    2 15:54:48      -39.943198         4.390699
BFGS:    3 15:54:48      -40.106515         3.373647
BFGS:    4 15:54:48      -40.429486         3.095746
BFGS:    5 15:54:48      -40.725177         2.828285
BFGS:    6 15:54:48      -40.994729         2.571292
BFGS:    7 15:54:48      -41.239103         2.324133
BFGS:    8 15:54:48      -41.459258         2.086276
BFGS:    9 15:54:48      -41.656105         1.857378
BFGS:   10 15:54:48      -41.830519         1.637084
BFGS:   11 15:54:48      -41.983342         1.425067
BFGS:   12 15:54:48      -42.115385         1.221017
BFGS:   13 15:54:48      -42.227428         1.024643
BFGS:   14 15:54:48      -42.320223         0.835669
BFGS:   15 15:54:48      -42.394495         0.653835
BFGS:   16 15:54:48      -42.450945         0.478889
BFGS:   17 15:54:48      -42.490246         0.310594
BFGS:   18 15:54:48      -42.513049         0.148716
BFGS:   19 15:54:48      -42.519994         0.006465
BFGS:   20 15:54:48      -42.520004         0.001102
BFGS:   21 15:54:48      -42.520004         0.000991
BFGS:   22 15:54:48      -42.520004         0.001209
BFGS:   23 15:54:48      -42.520004         0.001213
BFGS:   24 15:54:48      -42.520005         0.000824
BFGS:   25 15:54:48      -42.520005         0.000284
BFGS:   26 15:54:48      -42.520005         0.000074
BFGS:   27 15:54:48      -42.520005         0.000006
BFGS:   28 15:54:48      -42.520005         0.000001
BFGS:   29 15:54:48      -42.520005         0.000000
BFGS:   30 15:54:48      -42.520005         0.000000
Minimization converged after 30 steps.
Maximum force component: 6.094791338284722e-12 eV/Angstrom
Maximum stress component: 2.3688121120082448e-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]
 [2.20826972e-33 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [2.68120462e-33 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([[2.751369871407734, -3.308223541782985e-37, 0.0], [-9.870480007658941e-37, 4.765512407618033, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-2.71306016e-31 -6.09479134e-12  0.00000000e+00]
 [-1.26237246e-48  6.09479134e-12  0.00000000e+00]
 [ 6.78265040e-32 -6.09479134e-12  0.00000000e+00]
 [-1.35653008e-31  6.09479134e-12  0.00000000e+00]
 [-2.71306016e-31 -6.09479134e-12  0.00000000e+00]
 [-1.26237246e-48  6.09479134e-12  0.00000000e+00]
 [ 1.26237246e-48 -6.09479134e-12  0.00000000e+00]
 [-1.01739756e-31  6.09479134e-12  0.00000000e+00]]
stress =  [-1.00855932e-11 -2.36881211e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00  1.26301157e-47]
energy per atom =  -5.315000584088765
===============================================
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.