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 15:56:37       -0.008915         0.008257
BFGS:    1 15:56:37       -0.008917         0.008260
BFGS:    2 15:56:37       -0.010240         0.009381
BFGS:    3 15:56:37       -0.011735         0.010576
BFGS:    4 15:56:37       -0.013415         0.011822
BFGS:    5 15:56:37       -0.015273         0.012907
BFGS:    6 15:56:37       -0.017266         0.013554
BFGS:    7 15:56:37       -0.019297         0.013349
BFGS:    8 15:56:37       -0.021191         0.011536
BFGS:    9 15:56:37       -0.021538         0.012722
BFGS:   10 15:56:37       -0.021899         0.004615
BFGS:   11 15:56:37       -0.021940         0.000609
BFGS:   12 15:56:37       -0.021941         0.000021
BFGS:   13 15:56:37       -0.021941         0.000000
BFGS:   14 15:56:37       -0.021941         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.279348073238268e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.406627642717047, -2.7991855587849486e-32, -3.945048098941786e-33], [-1.339501431639216e-32, 3.406627642717047, -5.830977153416323e-17], [5.010206329369595e-33, -5.830977153416323e-17, 3.4066276427170465]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.27934807e-13 -7.27934807e-13 -7.27934807e-13 -4.99782817e-31
  3.34095589e-52 -4.40410608e-61]
energy per atom =  -0.010970475254788094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0