tip_si4.xyz
1.5
-1.5
10.93618
0
0
0
6.24
5.41
2.02466
76.5
0.22
50
0
0
0
3.4
si001_3x1h.xyz
0
0
0
0
0
0
10.80738
2.63117
7.53618
76.5
0.22
50
DFTB_STS
brief description of this calculation
two_body_parameters
ConstantHeight
160.00000
41.00000
172.00000
0
0
0
0
1.0
0.001
0.10000
10
150
0.1
off
conical
0.00000
0.22000
120.000
1000.00
1.00000
0.20000
1000
0.10000
150
-4.0
4.0
100
4
on
-5.0
+5.0
1024
50
-0.1
0.10000
4
11.51877
0
0
0
3.83959
0
0
0
100
CPU
4