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:
DUNN_WenTadmor_2019v2_C__MO_956135237832_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 16:44:51      -64.678618        0.2078
BFGS:    1 16:44:51      -64.679590        0.2084
BFGS:    2 16:44:51      -64.690129        0.2185
BFGS:    3 16:44:51      -64.693806        0.2374
BFGS:    4 16:44:51      -64.697564        0.3083
BFGS:    5 16:44:52      -64.704047        0.3788
BFGS:    6 16:44:52      -64.711333        0.4347
BFGS:    7 16:44:52      -64.719131        0.4840
BFGS:    8 16:44:52      -64.727222        0.5299
BFGS:    9 16:44:52      -64.735487        0.5738
BFGS:   10 16:44:52      -64.760363        0.2715
BFGS:   11 16:44:52      -64.774498        0.2794
BFGS:   12 16:44:52      -64.788642        0.2867
BFGS:   13 16:44:52      -64.803218        0.2916
BFGS:   14 16:44:52      -64.817847        0.2932
BFGS:   15 16:44:53      -64.832437        0.2910
BFGS:   16 16:44:53      -64.846848        0.2835
BFGS:   17 16:44:53      -64.860849        0.2684
BFGS:   18 16:44:53      -64.873966        0.2397
BFGS:   19 16:44:53      -64.885602        0.1938
BFGS:   20 16:44:53      -64.894873        0.1311
BFGS:   21 16:44:53      -64.900835        0.0623
BFGS:   22 16:44:53      -64.902814        0.0158
BFGS:   23 16:44:53      -64.902906        0.0169
BFGS:   24 16:44:54      -64.902967        0.0159
BFGS:   25 16:44:54      -64.903049        0.0148
BFGS:   26 16:44:54      -64.903208        0.0129
BFGS:   27 16:44:54      -64.903379        0.0115
BFGS:   28 16:44:54      -64.903517        0.0107
BFGS:   29 16:44:54      -64.903653        0.0059
BFGS:   30 16:44:54      -64.903668        0.0049
BFGS:   31 16:44:54      -64.903670        0.0041
BFGS:   32 16:44:54      -64.903670        0.0037
BFGS:   33 16:44:55      -64.903672        0.0023
BFGS:   34 16:44:55      -64.903673        0.0008
BFGS:   35 16:44:55      -64.903673        0.0002
BFGS:   36 16:44:55      -64.903673        0.0001
BFGS:   37 16:44:55      -64.903673        0.0000
BFGS:   38 16:44:55      -64.903673        0.0000
BFGS:   39 16:44:55      -64.903673        0.0000
Minimization converged after 39 steps.
Maximum force component: 5.370972183312561e-09 eV/Angstrom
Maximum stress component: 1.8977385822267325e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16704019e-01 2.50000000e-01]
 [2.39571158e-35 8.32959807e-02 2.50000000e-01]
 [0.00000000e+00 9.16704019e-01 7.50000000e-01]
 [0.00000000e+00 5.83295981e-01 7.50000000e-01]
 [5.00000000e-01 9.16704019e-01 2.50000000e-01]
 [5.00000000e-01 5.83295981e-01 2.50000000e-01]
 [5.00000000e-01 4.16704019e-01 7.50000000e-01]
 [5.00000000e-01 8.32959807e-02 7.50000000e-01]]
cellpar =  Cell([[2.4657816274662556, 3.843208986321032e-37, 0.0], [7.237440797818333e-37, 4.270001789080972, 0.0], [0.0, 0.0, 7.242870678517406]])
forces =  [[-6.70077461e-46 -3.95337528e-09 -5.37097218e-09]
 [ 6.70077461e-46  3.95337528e-09 -5.37097218e-09]
 [-6.70077461e-46 -3.95337528e-09  5.37097218e-09]
 [ 9.49784535e-34  3.95337528e-09  5.37097218e-09]
 [-6.70077461e-46 -3.95337528e-09 -5.37097218e-09]
 [ 7.59827628e-33  3.95337528e-09 -5.37097218e-09]
 [-6.70077461e-46 -3.95337528e-09  5.37097218e-09]
 [ 6.70077461e-46  3.95337528e-09  5.37097218e-09]]
stress =  [ 1.13757437e-10 -1.27434590e-10  1.89773858e-10  0.00000000e+00
  0.00000000e+00 -8.40538981e-47]
energy per atom =  -0.7504007072173824
===============================================
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_oF8_69_g. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.