element(s):
['H']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2058']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:56:22       -0.008915        0.0083
BFGS:    1 17:56:22       -0.008917        0.0083
BFGS:    2 17:56:22       -0.010240        0.0094
BFGS:    3 17:56:22       -0.011735        0.0106
BFGS:    4 17:56:22       -0.013415        0.0118
BFGS:    5 17:56:22       -0.015273        0.0129
BFGS:    6 17:56:22       -0.017266        0.0136
BFGS:    7 17:56:22       -0.019297        0.0133
BFGS:    8 17:56:22       -0.021191        0.0115
BFGS:    9 17:56:22       -0.021538        0.0127
BFGS:   10 17:56:22       -0.021899        0.0046
BFGS:   11 17:56:22       -0.021940        0.0006
BFGS:   12 17:56:22       -0.021941        0.0000
BFGS:   13 17:56:22       -0.021941        0.0000
BFGS:   14 17:56:22       -0.021941        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.279394827601954e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.4066276427170465, -1.459490035115235e-32, -1.1757275622766427e-32], [-2.4585123115282843e-32, 3.4066276427170465, -9.607068312394889e-17], [6.252820694383818e-33, -9.607068312394896e-17, 3.406627642717047]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.27939483e-13 -7.27939483e-13 -7.27939483e-13  3.85295462e-30
 -5.37568652e-61  5.84991909e-61]
energy per atom =  -0.010970475254788106
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0