element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:41:46     -118.561825        0.3085
BFGS:    1 17:41:46     -118.584679        0.3402
BFGS:    2 17:41:47     -118.982319        0.5219
BFGS:    3 17:41:47     -118.767872        0.8313
BFGS:    4 17:41:47     -119.054748        0.1232
BFGS:    5 17:41:48     -119.056941        0.1111
BFGS:    6 17:41:48     -119.058693        0.1152
BFGS:    7 17:41:48     -119.059548        0.1158
BFGS:    8 17:41:48     -119.065139        0.1144
BFGS:    9 17:41:49     -119.074413        0.1895
BFGS:   10 17:41:49     -119.084505        0.2269
BFGS:   11 17:41:49     -119.094827        0.2182
BFGS:   12 17:41:50     -119.104010        0.1506
BFGS:   13 17:41:50     -119.108141        0.0393
BFGS:   14 17:41:50     -119.108663        0.0042
BFGS:   15 17:41:50     -119.108681        0.0002
BFGS:   16 17:41:51     -119.108681        0.0000
BFGS:   17 17:41:51     -119.108681        0.0000
Minimization converged after 17 steps.
Maximum force component: 4.699048181633024e-12 eV/Angstrom
Maximum stress component: 4.79223946952269e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.17087295 0.17087295 0.17087295]
 [0.82912705 0.82912705 0.17087295]
 [0.82912705 0.17087295 0.82912705]
 [0.17087295 0.82912705 0.82912705]
 [0.17087295 0.17087295 0.82912705]
 [0.82912705 0.82912705 0.82912705]
 [0.17087295 0.82912705 0.17087295]
 [0.82912705 0.17087295 0.17087295]
 [0.67087295 0.67087295 0.67087295]
 [0.32912705 0.32912705 0.67087295]
 [0.32912705 0.67087295 0.32912705]
 [0.67087295 0.32912705 0.32912705]
 [0.67087295 0.67087295 0.32912705]
 [0.32912705 0.32912705 0.32912705]
 [0.67087295 0.32912705 0.67087295]
 [0.32912705 0.67087295 0.67087295]]
cellpar =  Cell([[4.8036893777605405, -9.856803841929023e-33, -5.132635174344858e-33], [-8.751813145652827e-33, 4.8036893777605405, -9.482785639813478e-22], [-5.117488582473996e-34, -9.482785639736982e-22, 4.8036893777605405]])
forces =  [[ 4.69904818e-12  4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12  4.69904818e-12]
 [ 4.69904818e-12  4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12  4.69904818e-12]]
stress =  [-4.79223947e-13 -4.79223947e-13 -4.79223947e-13  4.83975726e-29
 -3.56106062e-33  3.89114810e-49]
energy per atom =  -0.04994202711954099
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0