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 16:45:22      -37.308825       22.8649
BFGS:    1 16:45:22      -39.138498       13.7293
BFGS:    2 16:45:22      -40.031680        4.2734
BFGS:    3 16:45:22      -40.185675        3.2652
BFGS:    4 16:45:22      -40.498511        3.0012
BFGS:    5 16:45:22      -40.785384        2.7460
BFGS:    6 16:45:22      -41.047243        2.4996
BFGS:    7 16:45:22      -41.284921        2.2617
BFGS:    8 16:45:22      -41.499245        2.0320
BFGS:    9 16:45:22      -41.691019        1.8102
BFGS:   10 16:45:22      -41.861023        1.5960
BFGS:   11 16:45:22      -42.010014        1.3894
BFGS:   12 16:45:22      -42.138730        1.1901
BFGS:   13 16:45:22      -42.247887        0.9978
BFGS:   14 16:45:22      -42.338181        0.8124
BFGS:   15 16:45:22      -42.410289        0.6337
BFGS:   16 16:45:22      -42.464866        0.4615
BFGS:   17 16:45:22      -42.502550        0.2956
BFGS:   18 16:45:22      -42.523959        0.1358
BFGS:   19 16:45:22      -42.529805        0.0057
BFGS:   20 16:45:22      -42.529813        0.0011
BFGS:   21 16:45:22      -42.529813        0.0010
BFGS:   22 16:45:22      -42.529813        0.0012
BFGS:   23 16:45:22      -42.529813        0.0011
BFGS:   24 16:45:22      -42.529813        0.0006
BFGS:   25 16:45:22      -42.529814        0.0002
BFGS:   26 16:45:22      -42.529814        0.0000
BFGS:   27 16:45:22      -42.529814        0.0000
BFGS:   28 16:45:22      -42.529814        0.0000
BFGS:   29 16:45:22      -42.529814        0.0000
Minimization converged after 29 steps.
Maximum force component: 3.9249048455758384e-11 eV/Angstrom
Maximum stress component: 2.827371527641988e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.52025989e-35 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [5.64333716e-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([[2.750031172838903, -9.022719212640939e-38, 0.0], [2.9356400870104696e-36, 4.763193713667465, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-2.37277259e-31 -3.92490485e-11  0.00000000e+00]
 [-1.35587005e-31  3.92490485e-11  0.00000000e+00]
 [-1.35587005e-31 -3.92490485e-11  0.00000000e+00]
 [ 1.35587005e-31  3.92490485e-11  0.00000000e+00]
 [-3.38967513e-31 -3.92490485e-11  0.00000000e+00]
 [-2.71174010e-31  3.92490485e-11  0.00000000e+00]
 [-2.41898791e-47 -3.92490485e-11  0.00000000e+00]
 [ 2.41898791e-47  3.92490485e-11  0.00000000e+00]]
stress =  [-2.68089268e-10 -2.82737153e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00  1.88197823e-33]
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.