element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:08      -59.633123         0.210768
BFGS:    1 15:24:08      -59.634948         0.193443
BFGS:    2 15:24:08      -59.644526         0.005077
BFGS:    3 15:24:09      -59.644532         0.000118
BFGS:    4 15:24:09      -59.644532         0.000000
BFGS:    5 15:24:09      -59.644532         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.4759441757501258e-30 eV/Angstrom
Maximum stress component: 1.701966076101121e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.49383943e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.21510200e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.556717345507497, 1.1552387952823132e-33, 1.9973315877642686e-34], [-2.3104772677242724e-33, 3.556717345507497, -1.0035171989706328e-19], [-6.507393967680673e-34, -1.0035171989706243e-19, 3.556717345507497]])
forces =  [[ 2.92266173e-31 -2.48426247e-31 -1.16906469e-31]
 [ 2.04586321e-31 -4.67625877e-31 -6.57598890e-31]
 [ 3.50719408e-31 -1.16906469e-31  5.84532347e-32]
 [-4.09172643e-31  4.45705914e-31  3.21492791e-31]
 [-2.33812939e-31  1.11061146e-30 -4.96852495e-31]
 [-7.67198705e-32 -5.84532347e-31  7.01438816e-31]
 [-8.32958594e-31  1.24213124e-30  2.77652865e-31]
 [ 9.35251755e-31 -1.47594418e-30  1.16906469e-31]]
stress =  [-1.70196608e-13 -1.70196608e-13 -1.70196608e-13  3.31032412e-29
  2.84189843e-34 -3.72107780e-50]
energy per atom =  -7.455566513272915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0