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 09:51:40       -0.005886         0.007685
BFGS:    1 09:51:40       -0.005888         0.007685
BFGS:    2 09:51:40       -0.006653         0.007017
BFGS:    3 09:51:40       -0.006266         0.010930
BFGS:    4 09:51:40       -0.006771         0.008647
BFGS:    5 09:51:40       -0.006779         0.009377
BFGS:    6 09:51:40       -0.006781         0.009151
BFGS:    7 09:51:40       -0.006784         0.008933
BFGS:    8 09:51:40       -0.006794         0.008196
BFGS:    9 09:51:40       -0.006815         0.006607
BFGS:   10 09:51:40       -0.006850         0.005521
BFGS:   11 09:51:40       -0.006888         0.003754
BFGS:   12 09:51:40       -0.006909         0.001060
BFGS:   13 09:51:40       -0.006912         0.000112
BFGS:   14 09:51:40       -0.006912         0.000006
BFGS:   15 09:51:40       -0.006912         0.000000
BFGS:   16 09:51:40       -0.006912         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.998711040651877e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.9405435229081216, 7.506811785178988e-34, 6.243949975736282e-32], [-4.013635593310482e-34, 2.9405435229081216, 4.7808797975508203e-17], [-6.308852729408004e-34, 4.537797427117602e-17, 2.9405435714132606]])
forces =  [[0. 0. 0.]]
stress =  [-2.99871104e-10 -2.99871104e-10  1.62157951e-11  4.28619181e-26
 -6.78155467e-44 -4.35712784e-59]
energy per atom =  -0.006911905644726649
===============================================
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.