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 15:28:33      -32.325186         0.312758
BFGS:    1 15:28:34      -32.328157         0.243716
BFGS:    2 15:28:34      -32.334300         0.210286
BFGS:    3 15:28:34      -32.335097         0.209408
BFGS:    4 15:28:34      -32.345276         0.213581
BFGS:    5 15:28:34      -32.354736         0.222389
BFGS:    6 15:28:34      -32.364330         0.278618
BFGS:    7 15:28:34      -32.373976         0.332166
BFGS:    8 15:28:34      -32.383476         0.369057
BFGS:    9 15:28:34      -32.392479         0.387677
BFGS:   10 15:28:34      -32.400446         0.388690
BFGS:   11 15:28:34      -32.406853         0.386915
BFGS:   12 15:28:34      -32.412280         0.416181
BFGS:   13 15:28:34      -32.416968         0.377337
BFGS:   14 15:28:34      -32.422508         0.413100
BFGS:   15 15:28:34      -32.429546         0.386823
BFGS:   16 15:28:34      -32.435246         0.325905
BFGS:   17 15:28:34      -32.438991         0.230007
BFGS:   18 15:28:35      -32.440204         0.125535
BFGS:   19 15:28:35      -32.440727         0.095081
BFGS:   20 15:28:35      -32.441678         0.005008
BFGS:   21 15:28:35      -32.441683         0.000217
BFGS:   22 15:28:35      -32.441683         0.000031
BFGS:   23 15:28:35      -32.441683         0.000004
BFGS:   24 15:28:35      -32.441683         0.000000
BFGS:   25 15:28:35      -32.441683         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.614198191875904e-31 eV/Angstrom
Maximum stress component: 2.7756327657961947e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[9.10126740e-36 0.00000000e+00 2.50000000e-01]
 [1.62853332e-37 1.22041789e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4554871681825747, -1.1866489811191168e-18, -4.5590481572033743e-32], [-1.2277435840912874, 2.1265142663128227, -9.118108227692384e-32], [-1.3398731086997253e-31, -3.867884974474711e-31, 6.844323748862749]])
forces =  [[-2.06440139e-64 -5.95942040e-64  1.05453504e-32]
 [ 1.37626760e-64  3.97294693e-64 -7.03023363e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.61419819e-31  1.39793664e-31  5.27267522e-33]]
stress =  [-2.21940601e-11 -2.21940601e-11  2.77563277e-11 -2.82293154e-33
 -9.77892170e-34 -5.53371244e-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