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_GW_GaoWeber_2002_SiC__SM_606253546840_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      -37.308825        22.864892
BFGS:    1 15:54:48      -39.138498        13.729315
BFGS:    2 15:54:48      -40.031680         4.273439
BFGS:    3 15:54:48      -40.185675         3.265234
BFGS:    4 15:54:48      -40.498511         3.001156
BFGS:    5 15:54:48      -40.785384         2.745969
BFGS:    6 15:54:48      -41.047243         2.499628
BFGS:    7 15:54:48      -41.284921         2.261728
BFGS:    8 15:54:48      -41.499245         2.031975
BFGS:    9 15:54:48      -41.691019         1.810156
BFGS:   10 15:54:48      -41.861023         1.596045
BFGS:   11 15:54:48      -42.010014         1.389427
BFGS:   12 15:54:48      -42.138730         1.190091
BFGS:   13 15:54:48      -42.247887         0.997832
BFGS:   14 15:54:48      -42.338181         0.812449
BFGS:   15 15:54:48      -42.410289         0.633746
BFGS:   16 15:54:48      -42.464866         0.461531
BFGS:   17 15:54:48      -42.502550         0.295615
BFGS:   18 15:54:48      -42.523959         0.135808
BFGS:   19 15:54:48      -42.529805         0.005690
BFGS:   20 15:54:48      -42.529813         0.001102
BFGS:   21 15:54:48      -42.529813         0.001017
BFGS:   22 15:54:48      -42.529813         0.001241
BFGS:   23 15:54:48      -42.529813         0.001143
BFGS:   24 15:54:48      -42.529813         0.000617
BFGS:   25 15:54:48      -42.529814         0.000194
BFGS:   26 15:54:48      -42.529814         0.000033
BFGS:   27 15:54:48      -42.529814         0.000002
BFGS:   28 15:54:48      -42.529814         0.000000
BFGS:   29 15:54:48      -42.529814         0.000000
Minimization converged after 29 steps.
Maximum force component: 3.924294222912294e-11 eV/Angstrom
Maximum stress component: 2.8273845880601696e-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]
 [7.16210575e-34 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [9.08859801e-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([[2.7500311728389026, 2.434317951849064e-37, 0.0], [7.223350019641916e-37, 4.763193713667463, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-5.95116480e-48 -3.92429422e-11  0.00000000e+00]
 [ 5.95116480e-48  3.92429422e-11  0.00000000e+00]
 [-5.95116480e-48 -3.92429422e-11  0.00000000e+00]
 [ 5.95116480e-48  3.92429422e-11  0.00000000e+00]
 [-5.95116480e-48 -3.92429422e-11  0.00000000e+00]
 [ 3.38967513e-32  3.92429422e-11  0.00000000e+00]
 [-5.95116480e-48 -3.92429422e-11  0.00000000e+00]
 [ 5.95116480e-48  3.92429422e-11  0.00000000e+00]]
stress =  [-2.68090157e-10 -2.82738459e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -8.79755845e-47]
energy per atom =  -5.316226690823467
===============================================
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.