tip_hsi4.xyz
-7
-6
12.16468
0
0
0
6.24
5.41
3.50466
76.5
0.22
50
15.35014
15.35014
0
4
surf_si001n.xyz
0
0
0
0
0
0
14.28655
13.52978
8.16468
76.5
0.22
50
DFTB_KPFM
brief description of this calculation
two_body_parameters
ConstantHeight
160.00000
41.00000
172.00000
30
30
0
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
0.1
4
15.35014
0
0
0
15.35014
0
0
0
100
CPU
4