element(s):
['H']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1695', '0.94664774']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[3.1695, 0, 0], [0, 3.1695, 0], [0, 0, 3.0004]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:31:15       -0.006884        0.0072
BFGS:    1 17:31:15       -0.006886        0.0072
BFGS:    2 17:31:15       -0.007528        0.0045
BFGS:    3 17:31:15       -0.007731        0.0019
BFGS:    4 17:31:15       -0.007744        0.0016
BFGS:    5 17:31:15       -0.007746        0.0015
BFGS:    6 17:31:15       -0.007746        0.0015
BFGS:    7 17:31:15       -0.007746        0.0015
BFGS:    8 17:31:15       -0.007746        0.0015
BFGS:    9 17:31:15       -0.007747        0.0013
BFGS:   10 17:31:15       -0.007749        0.0010
BFGS:   11 17:31:15       -0.007751        0.0006
BFGS:   12 17:31:15       -0.007753        0.0003
BFGS:   13 17:31:15       -0.007754        0.0001
BFGS:   14 17:31:15       -0.007754        0.0000
BFGS:   15 17:31:15       -0.007754        0.0000
BFGS:   16 17:31:15       -0.007754        0.0000
BFGS:   17 17:31:15       -0.007754        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8003068734341924e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.8835339377478464, 1.9884527762962695e-33, 6.964564737230287e-35], [5.819655801426191e-34, 2.8835339377478473, 1.0967854846605616e-19], [2.374801826549231e-35, 1.1300281759440378e-19, 2.883533932697923]])
forces =  [[0. 0. 0.]]
stress =  [ 3.80030687e-11  3.80030687e-11  2.56923967e-11  5.08580487e-28
 -1.01387420e-46  1.28097571e-60]
energy per atom =  -0.007753641351757438
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.