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 18:20:21      -63.742310        1.5594
BFGS:    1 18:20:21      -63.843763        1.4757
BFGS:    2 18:20:22      -64.049789        1.2666
BFGS:    3 18:20:22      -64.222499        1.0327
BFGS:    4 18:20:22      -64.358764        0.7819
BFGS:    5 18:20:22      -64.456517        0.5199
BFGS:    6 18:20:22      -64.514324        0.2496
BFGS:    7 18:20:22      -64.531282        0.0056
BFGS:    8 18:20:22      -64.531291        0.0000
BFGS:    9 18:20:22      -64.531291        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.929117326093932e-31 eV/Angstrom
Maximum stress component: 6.946026260336288e-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, -7.095085754862651e-33, 7.4994615511764246e-34], [-1.3680456518759452e-32, 3.9606371589993374, -1.5082049536039265e-17], [-5.30955662311866e-33, -1.5082049536039268e-17, 3.9606371589993374]])
forces =  [[-4.88186221e-32 -5.69550591e-32 -6.50914961e-32]
 [-1.62728740e-32  6.19668711e-50 -1.62728740e-32]
 [-1.17978337e-31 -1.62728740e-32  6.19668711e-50]
 [-2.27820236e-31 -2.72570640e-31 -1.62728740e-32]
 [ 9.76372442e-32 -1.46455866e-31 -2.44093111e-32]
 [-2.92911733e-31 -9.76372442e-32 -9.76372442e-32]
 [-1.62728740e-31 -2.44093111e-32 -1.22046555e-32]
 [-2.03410925e-31  1.13910118e-31 -1.30182992e-31]]
stress =  [ 6.94602626e-10  6.94602626e-10  6.94602626e-10 -4.01924919e-26
 -5.23840515e-34  4.34017672e-50]
energy per atom =  -0.7526860792977095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0