tip_hsi4.xyz
-7
-6
15.7571
0
0
0
6.24
5.41
3.50466
76.5
0.22
50
7.62855
7.62855
3.5
6.5
hsi001.xyz
0
0
0
0
0
0
14.28641
13.43144
9.2571
76.5
0.22
50
DFTB_AFM
brief description of this calculation
two_body_parameters
ConstantHeight
160
41
172
20
20
10
0
1.0
0.001
0.10000
10
150
0.1
off
conical
0
0.22
120
1000
1
0.20000
1000
0.10000
150
-1.0
1.0
100
4
on
-5.0
+5.0
1024
50
-0.1
0.10000
4
15.35014
0
0
0
15.35014
0
0
0
100
CPU
1