element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:41:15     -118.497104        0.1487
BFGS:    1 16:41:16     -118.498052        0.1489
BFGS:    2 16:41:16     -118.520784        0.1549
BFGS:    3 16:41:16     -118.544835        0.1670
BFGS:    4 16:41:17     -118.571188        0.1849
BFGS:    5 16:41:17     -118.600354        0.2037
BFGS:    6 16:41:17     -118.632163        0.2199
BFGS:    7 16:41:17     -118.666137        0.2325
BFGS:    8 16:41:18     -118.701736        0.2415
BFGS:    9 16:41:18     -118.738360        0.2461
BFGS:   10 16:41:18     -118.775300        0.2455
BFGS:   11 16:41:19     -118.811729        0.2392
BFGS:   12 16:41:19     -118.846794        0.2275
BFGS:   13 16:41:19     -118.879769        0.2116
BFGS:   14 16:41:19     -118.910150        0.1932
BFGS:   15 16:41:20     -118.937685        0.1739
BFGS:   16 16:41:20     -118.962379        0.1558
BFGS:   17 16:41:20     -118.984614        0.1414
BFGS:   18 16:41:20     -119.004981        0.1306
BFGS:   19 16:41:21     -119.023872        0.1213
BFGS:   20 16:41:21     -119.041307        0.1109
BFGS:   21 16:41:21     -119.057038        0.0984
BFGS:   22 16:41:22     -119.070715        0.0835
BFGS:   23 16:41:22     -119.081970        0.0662
BFGS:   24 16:41:22     -119.090482        0.0470
BFGS:   25 16:41:22     -119.096032        0.0268
BFGS:   26 16:41:23     -119.098517        0.0063
BFGS:   27 16:41:23     -119.098662        0.0000
BFGS:   28 16:41:23     -119.098662        0.0000
BFGS:   29 16:41:23     -119.098662        0.0000
Minimization converged after 29 steps.
Maximum force component: 4.918929774031426e-31 eV/Angstrom
Maximum stress component: 1.372981051045181e-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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.205273834182772, -4.3386554998580195e-34, 1.7013842446975494e-34], [1.0682835335705767e-33, 5.205273834182772, -9.463056047903477e-18], [-3.086842912014968e-33, -9.463056047903472e-18, 5.205273834182772]])
forces =  [[ 2.13866512e-31  8.55466048e-32  1.71093210e-31]
 [ 1.60399884e-31  1.49706558e-31  8.01999420e-32]
 [-1.06933256e-31 -4.27733024e-32 -1.71093210e-31]
 [ 1.28319907e-31 -3.20799768e-32  9.62399304e-32]
 [-7.48532792e-32  1.17626582e-31  2.13866512e-32]
 [-9.62399304e-32 -3.10106442e-31  4.81199652e-31]
 [-2.13866512e-32 -2.13866512e-32 -3.20799768e-31]
 [ 9.62399304e-32  2.13866512e-32  2.13866512e-32]
 [-1.28319907e-31  8.55466048e-32 -3.20799768e-32]
 [-2.03173186e-31  3.20799768e-32  3.20799768e-32]
 [ 6.41599536e-32  2.78026465e-31  1.28319907e-31]
 [-1.17626582e-31 -8.55466048e-32  5.34666280e-32]
 [ 1.81786535e-31  7.48532792e-32  1.12279919e-31]
 [-1.06933256e-31  3.20799768e-32  3.20799768e-32]
 [ 1.81786535e-31  1.17626582e-31  4.91892977e-31]
 [ 1.49706558e-31 -1.16641171e-49  6.41599536e-32]]
stress =  [-1.37298105e-13 -1.37298105e-13 -1.37298105e-13 -7.65923040e-30
 -7.58196973e-35 -2.18822733e-51]
energy per atom =  -0.049315826773300486
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0