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 14:57:45      -25.645119         4.632587
BFGS:    1 14:57:45      -26.322954         4.405863
BFGS:    2 14:57:45      -26.967064         4.182866
BFGS:    3 14:57:45      -27.577989         3.963358
BFGS:    4 14:57:45      -28.156235         3.747116
BFGS:    5 14:57:45      -28.702277         3.533942
BFGS:    6 14:57:45      -29.216535         3.323293
BFGS:    7 14:57:45      -29.699403         3.115398
BFGS:    8 14:57:45      -30.151285         2.910120
BFGS:    9 14:57:45      -30.572563         2.707322
BFGS:   10 14:57:45      -30.963599         2.506878
BFGS:   11 14:57:45      -31.324738         2.308674
BFGS:   12 14:57:45      -31.656308         2.112604
BFGS:   13 14:57:45      -31.958621         1.918570
BFGS:   14 14:57:45      -32.231977         1.726482
BFGS:   15 14:57:45      -32.476659         1.536256
BFGS:   16 14:57:45      -32.692943         1.347814
BFGS:   17 14:57:45      -32.881089         1.161081
BFGS:   18 14:57:45      -33.041349         0.975986
BFGS:   19 14:57:45      -33.173963         0.792462
BFGS:   20 14:57:45      -33.279159         0.610352
BFGS:   21 14:57:45      -33.357139         0.429616
BFGS:   22 14:57:45      -33.408114         0.250279
BFGS:   23 14:57:46      -33.432289         0.072280
BFGS:   24 14:57:46      -33.434501         0.000368
BFGS:   25 14:57:46      -33.434501         0.000001
BFGS:   26 14:57:46      -33.434501         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.4035859875340463e-30 eV/Angstrom
Maximum stress component: 4.834183338946349e-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([[5.176019256929355, -2.626413234795824e-32, 1.8175024126557115e-34], [-3.1038375655235404e-33, 5.176019256929355, -1.982980054457087e-17], [5.6006514274088275e-33, -1.9829800544570872e-17, 5.176019256929355]])
forces =  [[-1.27598726e-31 -1.27598726e-31 -2.97730361e-31]
 [-1.99053246e-64  2.55197452e-31 -4.25329087e-32]
 [-2.55197452e-31  1.27598726e-31  2.12664544e-31]
 [-2.12664544e-31 -2.55197452e-31 -2.55197452e-31]
 [-7.01792994e-31 -8.50658174e-32  2.97730361e-31]
 [-2.55197452e-31  4.25329087e-32 -1.40358599e-30]
 [ 2.55197452e-31 -8.93191083e-31 -5.10394905e-31]
 [-4.25329087e-32  8.50658174e-32 -1.70131635e-31]
 [-4.67861996e-31 -1.27598726e-31  1.70131635e-31]
 [ 8.50658174e-32 -8.50658174e-32  2.55197452e-31]
 [ 8.50658174e-32  2.55197452e-31  1.70131635e-31]
 [ 2.12664544e-31  3.40263270e-31 -5.52927813e-31]
 [-8.50658174e-32  4.25329087e-32 -1.27598726e-31]
 [ 8.50658174e-32 -9.99523355e-31 -1.27598726e-31]
 [ 5.10394905e-31 -2.97730361e-31  8.50658174e-32]
 [-8.50658174e-32  8.50658174e-32 -2.12664544e-31]]
stress =  [-4.83418334e-13 -4.83418334e-13 -4.83418334e-13 -6.06190123e-30
 -7.66791769e-35 -3.50834160e-51]
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