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:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_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 16:04:47      -25.645119         4.632587
BFGS:    1 16:04:47      -26.322954         4.405863
BFGS:    2 16:04:48      -26.967064         4.182866
BFGS:    3 16:04:48      -27.577989         3.963358
BFGS:    4 16:04:48      -28.156235         3.747116
BFGS:    5 16:04:49      -28.702277         3.533942
BFGS:    6 16:04:49      -29.216535         3.323293
BFGS:    7 16:04:50      -29.699403         3.115398
BFGS:    8 16:04:50      -30.151285         2.910120
BFGS:    9 16:04:50      -30.572563         2.707322
BFGS:   10 16:04:51      -30.963599         2.506878
BFGS:   11 16:04:51      -31.324738         2.308674
BFGS:   12 16:04:52      -31.656308         2.112604
BFGS:   13 16:04:52      -31.958621         1.918570
BFGS:   14 16:04:52      -32.231977         1.726482
BFGS:   15 16:04:52      -32.476659         1.536256
BFGS:   16 16:04:53      -32.692943         1.347814
BFGS:   17 16:04:53      -32.881089         1.161081
BFGS:   18 16:04:53      -33.041349         0.975986
BFGS:   19 16:04:54      -33.173963         0.792462
BFGS:   20 16:04:54      -33.279159         0.610352
BFGS:   21 16:04:55      -33.357139         0.429616
BFGS:   22 16:04:55      -33.408114         0.250279
BFGS:   23 16:04:56      -33.432289         0.072280
BFGS:   24 16:04:56      -33.434501         0.000368
BFGS:   25 16:04:56      -33.434501         0.000001
BFGS:   26 16:04:56      -33.434501         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.977303609920705e-31 eV/Angstrom
Maximum stress component: 4.820990069856138e-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([[5.176019256929356, -1.512842868380779e-33, -1.1033385472136453e-32], [3.952253245181257e-33, 5.176019256929356, -9.065036010197912e-18], [1.1820065605748526e-32, -9.065036010197916e-18, 5.176019256929356]])
forces =  [[ 4.25329087e-32  8.50658174e-32  1.27598726e-31]
 [-8.50658174e-32  1.70131635e-31 -2.97960521e-49]
 [ 1.06332272e-31  7.97492038e-32 -1.70131635e-31]
 [-2.97730361e-31  1.70131635e-31 -2.97960521e-49]
 [ 2.12664544e-32 -1.06332272e-31  1.70131635e-31]
 [-8.50658174e-32  1.70131635e-31 -1.27598726e-31]
 [ 1.70131635e-31  1.48980261e-49 -8.50658174e-32]
 [-6.37993631e-32  7.44901303e-50 -4.25329087e-32]
 [ 4.20993007e-64  4.25329087e-32  1.70131635e-31]
 [-8.50658174e-32  1.70131635e-31 -4.25329087e-32]
 [-1.70131635e-31  2.55197452e-31 -4.46940782e-49]
 [-3.23562442e-64  8.50658174e-32 -1.70131635e-31]
 [ 4.25329087e-32  8.50658174e-32 -1.27598726e-31]
 [ 2.97730361e-31 -2.12664544e-31  1.70131635e-31]
 [-9.68275113e-65  1.27598726e-31 -8.50658174e-32]
 [-4.25329087e-32  4.25329087e-32  4.25329087e-32]]
stress =  [-4.82099007e-13 -4.82099007e-13 -4.82099007e-13  1.39688722e-28
 -3.77282838e-61 -1.08595635e-61]
energy per atom =  -2.0896563040442486
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0