element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:24:12      -63.742310         1.559393
BFGS:    1 16:24:12      -63.843763         1.475709
BFGS:    2 16:24:12      -64.049789         1.266599
BFGS:    3 16:24:13      -64.222499         1.032729
BFGS:    4 16:24:13      -64.358764         0.781899
BFGS:    5 16:24:13      -64.456517         0.519910
BFGS:    6 16:24:13      -64.514324         0.249641
BFGS:    7 16:24:13      -64.531282         0.005570
BFGS:    8 16:24:13      -64.531291         0.000042
BFGS:    9 16:24:13      -64.531291         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.573459356595398e-31 eV/Angstrom
Maximum stress component: 6.94602515521264e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[3.9606371589993374, 2.952434995885414e-32, -1.66003447247556e-33], [-4.025750716747852e-33, 3.9606371589993374, -2.7946124556278016e-17], [8.026323275684539e-34, -2.7946124556278016e-17, 3.9606371589993374]])
forces =  [[-1.30182992e-31  8.13643702e-33 -5.74104300e-50]
 [ 3.58003229e-31 -5.28868406e-31  1.30182992e-31]
 [-1.95274488e-31  1.30182992e-31  2.60365985e-31]
 [ 1.62728740e-31  2.76638859e-31 -5.20731969e-31]
 [-5.00390877e-31  5.57345936e-31  1.62728740e-31]
 [-9.76372442e-32 -1.30182992e-31 -9.76372442e-32]
 [ 3.90548977e-31  1.62728740e-31  3.58003229e-31]
 [ 2.92911733e-31  3.58003229e-31  2.92911733e-31]]
stress =  [ 6.94602516e-10  6.94602516e-10  6.94602516e-10 -2.13212637e-27
 -2.09536206e-33  1.53908492e-50]
energy per atom =  -0.7526860792977113
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0