element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:48       -5.476266         6.082386
BFGS:    1 17:28:48       -4.726316        11.467796
BFGS:    2 17:28:48       -5.707014         8.357175
BFGS:    3 17:28:48       -4.738721         8.266844
BFGS:    4 17:28:49       -5.310942         9.193851
BFGS:    5 17:28:49       -4.986765        10.761439
BFGS:    6 17:28:49       -5.735185         0.925600
BFGS:    7 17:28:49       -5.706113         8.418781
BFGS:    8 17:28:49       -5.735403         0.251457
BFGS:    9 17:28:49       -5.735417         0.084547
BFGS:   10 17:28:49       -5.735419         0.000382
BFGS:   11 17:28:49       -5.735419         0.000001
BFGS:   12 17:28:49       -5.735419         0.000000
BFGS:   13 17:28:49       -5.735419         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.176341859783228e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.7466873138934023, -9.870762836168791e-34, 9.053926852601891e-34], [-9.365100874807994e-33, 1.7466873138934023, 3.513961892231613e-17], [-9.077538666077165e-34, 3.513961892231615e-17, 1.7466873138934023]])
forces =  [[0. 0. 0.]]
stress =  [-1.17634186e-10 -1.17634186e-10 -1.17634186e-10  1.50361929e-30
 -5.38677535e-33 -1.08264719e-49]
energy per atom =  -5.632527797541979
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0