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_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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 17:26:19      -59.302917        0.1724
BFGS:    1 17:26:19      -59.304138        0.1582
BFGS:    2 17:26:19      -59.310580        0.0034
BFGS:    3 17:26:19      -59.310583        0.0001
BFGS:    4 17:26:19      -59.310583        0.0000
BFGS:    5 17:26:19      -59.310583        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.0383711022491581e-30 eV/Angstrom
Maximum stress component: 2.952081602937036e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 8.4743526e-33 5.0000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]]
cellpar =  Cell([[3.559549523900737, -3.6076460689003206e-33, -1.302475456853352e-34], [1.1544471644653547e-33, 3.559549523900737, 4.9530193030932164e-20], [-1.2517306567645914e-33, 4.953019303093084e-20, 3.559549523900737]])
forces =  [[-7.01997365e-31  2.33999122e-31 -3.80248573e-31]
 [ 4.67998243e-31 -2.63249012e-31  1.16999561e-31]
 [-4.67998243e-31 -8.48246816e-31  4.09498463e-31]
 [ 4.67998243e-31  9.35996487e-31 -6.43497584e-31]
 [ 1.16999561e-31 -3.86654284e-51 -2.77873957e-31]
 [ 4.24123408e-31  6.51207215e-51  4.67998243e-31]
 [ 8.70832281e-65 -1.75499341e-31 -4.09498463e-31]
 [ 5.26498024e-31  1.03837110e-30 -5.84997804e-32]]
stress =  [-2.95208160e-14 -2.95208160e-14 -2.95208160e-14 -3.63102697e-30
 -6.48543515e-34 -7.31499399e-50]
energy per atom =  -7.4138228378322815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0