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:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== 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 14:58:59      -95.430695         3.761904
BFGS:    1 14:58:59      -95.965596         3.365147
BFGS:    2 14:58:59      -96.438695         2.937475
BFGS:    3 14:59:00      -96.845147         2.475939
BFGS:    4 14:59:00      -97.179583         1.976479
BFGS:    5 14:59:00      -97.435934         1.433854
BFGS:    6 14:59:00      -97.607272         0.841864
BFGS:    7 14:59:00      -97.685694         0.193907
BFGS:    8 14:59:00      -97.689803         0.011613
BFGS:    9 14:59:00      -97.689818         0.000104
BFGS:   10 14:59:00      -97.689818         0.000000
BFGS:   11 14:59:00      -97.689818         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.4330732970212899e-30 eV/Angstrom
Maximum stress component: 3.2456177945017646e-15 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([[4.7134345300931955, 1.763691384408981e-33, 8.744841457049747e-33], [3.2127222720026566e-33, 4.7134345300931955, 4.155388446885667e-19], [3.6725280587845334e-33, 4.1553884468856954e-19, 4.7134345300931955]])
forces =  [[-3.48585397e-31 -1.06512205e-31 -5.80975661e-31]
 [-2.25729117e-65 -3.87317107e-31  3.09853686e-31]
 [-3.09853686e-31 -2.73168624e-50 -3.09853686e-31]
 [-2.71121975e-31 -4.64780529e-31 -7.55268359e-31]
 [-1.54926843e-31 -3.09853686e-31 -2.73168624e-50]
 [-3.48585397e-31 -1.54926843e-31 -6.19707372e-31]
 [-1.93658554e-32  3.34061005e-31  1.28298792e-31]
 [ 1.54926843e-31 -1.54926843e-31 -3.09853686e-31]
 [ 7.54699881e-65 -1.54926843e-31  2.32390264e-31]
 [-9.68292768e-32 -5.03512239e-31  8.52097636e-31]
 [ 4.37511950e-64  4.64780529e-31  1.54926843e-31]
 [ 9.12807527e-64  5.42243950e-31  6.97170793e-31]
 [ 1.93658554e-31 -7.74634215e-32 -3.09853686e-31]
 [ 1.08448790e-30 -1.54926843e-31  4.64780529e-31]
 [-1.43307330e-30  9.68292768e-33  2.13024409e-31]
 [-1.16195132e-31  5.03512239e-31  3.87317107e-32]]
stress =  [3.24561779e-15 3.24561779e-15 3.24561779e-15 6.98355325e-31
 9.97275015e-64 1.52982010e-64]
energy per atom =  -4.811469775025371
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0