element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:16     -119.832628         0.278704
BFGS:    1 16:34:17     -119.849714         0.268108
BFGS:    2 16:34:18     -119.927884         0.174031
BFGS:    3 16:34:19     -119.934075         0.145439
BFGS:    4 16:34:19     -119.936136         0.127069
BFGS:    5 16:34:20     -119.938148         0.109943
BFGS:    6 16:34:21     -119.942794         0.075417
BFGS:    7 16:34:21     -119.949791         0.060200
BFGS:    8 16:34:22     -119.957503         0.040346
BFGS:    9 16:34:23     -119.960310         0.014542
BFGS:   10 16:34:24     -119.960585         0.004542
BFGS:   11 16:34:24     -119.960610         0.000051
BFGS:   12 16:34:25     -119.960610         0.000000
BFGS:   13 16:34:26     -119.960610         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.906184560616519e-09 eV/Angstrom
Maximum stress component: 6.675014689199563e-10 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 =  [[0.15205361 0.15205361 0.15205361]
 [0.34794639 0.84794639 0.65205361]
 [0.84794639 0.65205361 0.34794639]
 [0.65205361 0.34794639 0.84794639]
 [0.65205361 0.65205361 0.65205361]
 [0.84794639 0.34794639 0.15205361]
 [0.34794639 0.15205361 0.84794639]
 [0.15205361 0.84794639 0.34794639]
 [0.84794639 0.84794639 0.84794639]
 [0.65205361 0.15205361 0.34794639]
 [0.15205361 0.34794639 0.65205361]
 [0.34794639 0.65205361 0.15205361]
 [0.34794639 0.34794639 0.34794639]
 [0.15205361 0.65205361 0.84794639]
 [0.65205361 0.84794639 0.15205361]
 [0.84794639 0.15205361 0.65205361]]
cellpar =  Cell([[4.524677531062844, 3.1555384314831173e-38, 0.0], [-6.357024300029544e-37, 4.524677531062844, 0.0], [0.0, 0.0, 4.524677531062844]])
forces =  [[ 3.90618456e-09  3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09 -3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09  3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09 -3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09  3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09 -3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09  3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09 -3.90618456e-09 -3.90618456e-09]
 [-3.90618456e-09 -3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09  3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09 -3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09  3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09 -3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09  3.90618456e-09 -3.90618456e-09]
 [ 3.90618456e-09 -3.90618456e-09  3.90618456e-09]
 [-3.90618456e-09  3.90618456e-09  3.90618456e-09]]
stress =  [6.67501469e-10 6.67501469e-10 6.67501469e-10 0.00000000e+00
 0.00000000e+00 4.81654010e-33]
energy per atom =  -0.1349796261079499
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0