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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== 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 17:45:23       -0.005886         0.007685
BFGS:    1 17:45:23       -0.005888         0.007685
BFGS:    2 17:45:23       -0.006653         0.007017
BFGS:    3 17:45:23       -0.006266         0.010930
BFGS:    4 17:45:23       -0.006771         0.008647
BFGS:    5 17:45:23       -0.006779         0.009377
BFGS:    6 17:45:23       -0.006781         0.009151
BFGS:    7 17:45:23       -0.006784         0.008933
BFGS:    8 17:45:23       -0.006794         0.008196
BFGS:    9 17:45:23       -0.006815         0.006607
BFGS:   10 17:45:23       -0.006850         0.005521
BFGS:   11 17:45:23       -0.006888         0.003754
BFGS:   12 17:45:23       -0.006909         0.001060
BFGS:   13 17:45:23       -0.006912         0.000112
BFGS:   14 17:45:23       -0.006912         0.000006
BFGS:   15 17:45:23       -0.006912         0.000000
BFGS:   16 17:45:23       -0.006912         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.998711015750032e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.940543522908121, 1.6599630143416938e-33, -4.298614093467858e-32], [2.0490716430760756e-33, 2.940543522908123, 1.6512382134385164e-18], [-1.630158964396273e-32, 1.546881928761652e-18, 2.940543571413262]])
forces =  [[0. 0. 0.]]
stress =  [-2.99871102e-10 -2.99871102e-10  1.62158029e-11  1.28304135e-26
 -1.75230154e-42 -1.07328563e-58]
energy per atom =  -0.006911905644726652
===============================================
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.