element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:21:44      -32.325186        0.3128
BFGS:    1 15:21:44      -32.328157        0.2437
BFGS:    2 15:21:44      -32.334300        0.2103
BFGS:    3 15:21:44      -32.335097        0.2094
BFGS:    4 15:21:44      -32.345276        0.2136
BFGS:    5 15:21:44      -32.354736        0.2224
BFGS:    6 15:21:44      -32.364330        0.2786
BFGS:    7 15:21:44      -32.373976        0.3322
BFGS:    8 15:21:44      -32.383476        0.3691
BFGS:    9 15:21:44      -32.392479        0.3877
BFGS:   10 15:21:44      -32.400446        0.3887
BFGS:   11 15:21:44      -32.406853        0.3869
BFGS:   12 15:21:44      -32.412280        0.4162
BFGS:   13 15:21:45      -32.416968        0.3773
BFGS:   14 15:21:45      -32.422508        0.4131
BFGS:   15 15:21:45      -32.429546        0.3868
BFGS:   16 15:21:45      -32.435246        0.3259
BFGS:   17 15:21:45      -32.438991        0.2300
BFGS:   18 15:21:45      -32.440204        0.1255
BFGS:   19 15:21:45      -32.440727        0.0951
BFGS:   20 15:21:45      -32.441678        0.0050
BFGS:   21 15:21:45      -32.441683        0.0002
BFGS:   22 15:21:45      -32.441683        0.0000
BFGS:   23 15:21:45      -32.441683        0.0000
BFGS:   24 15:21:45      -32.441683        0.0000
BFGS:   25 15:21:45      -32.441683        0.0000
Minimization converged after 25 steps.
Maximum force component: 2.4212972878138573e-31 eV/Angstrom
Maximum stress component: 2.7756826642233625e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 6.80231547e-36 2.50000000e-01]
 [1.98161826e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.455487168182576, 1.774702441376157e-19, -4.248958272749064e-34], [-1.227743584091288, 2.126514266312822, -8.504011944023683e-34], [-1.2460301895776311e-33, -3.5927597957286826e-33, 6.84432374886276]])
forces =  [[-2.42129729e-31  1.39793664e-31  3.51511682e-33]
 [ 2.42129729e-31 -1.39793664e-31 -3.51511682e-33]
 [-6.39937828e-67 -1.84517431e-66  3.51511682e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.21917169e-11 -2.21917169e-11  2.77568266e-11  8.60303922e-43
  2.98010525e-43 -5.95754881e-27]
energy per atom =  -0.7160701756052879
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0