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_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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       -0.008493         0.008222
BFGS:    1 15:56:37       -0.008496         0.008224
BFGS:    2 15:56:37       -0.009803         0.009207
BFGS:    3 15:56:37       -0.011257         0.010180
BFGS:    4 15:56:37       -0.012854         0.011092
BFGS:    5 15:56:37       -0.014575         0.011797
BFGS:    6 15:56:37       -0.016373         0.012099
BFGS:    7 15:56:37       -0.018170         0.011703
BFGS:    8 15:56:37       -0.019827         0.010164
BFGS:    9 15:56:37       -0.020386         0.006951
BFGS:   10 15:56:37       -0.020539         0.002304
BFGS:   11 15:56:37       -0.020555         0.000195
BFGS:   12 15:56:37       -0.020555         0.000004
BFGS:   13 15:56:38       -0.020555         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6741973931027306e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.397313678597066, -2.23131594546546e-33, -6.83984887580094e-33], [7.624165918463394e-33, 3.3973136785970666, -2.938942700959153e-17], [5.8313221907321096e-33, -2.938942700959155e-17, 3.3973136785970666]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.67419739e-10  3.67419739e-10  3.67419739e-10  2.41281682e-26
 -1.73819284e-36  4.82630933e-53]
energy per atom =  -0.010277369534239172
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0