Computational-Structures.zip
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Computational-Structures
C6BN_12Quadrature
12Super
CONTCAR
3.8 kB
CONTCAR
2.1 kB
VCB
CONTCAR
3.6 kB
Pd
CONTCAR
3.7 kB
H
CONTCAR
3.9 kB
ZPE
CONTCAR
4.3 kB
O
CONTCAR
3.9 kB
ZPE
CONTCAR
4.3 kB
O2
CONTCAR
4.0 kB
OH
CONTCAR
4.0 kB
ZPE
CONTCAR
4.4 kB
OOH
CONTCAR
4.1 kB
ZPE
CONTCAR
4.5 kB
VCC
CONTCAR
3.6 kB
Ni
CONTCAR
3.7 kB
H
CONTCAR
3.9 kB
ZPE
CONTCAR
4.3 kB
O
CONTCAR
3.9 kB
ZPE
CONTCAR
4.3 kB
O2
CONTCAR
4.0 kB
OH
CONTCAR
4.0 kB
ZPE
CONTCAR
4.4 kB
OOH-01
CONTCAR
4.1 kB
ZPE
CONTCAR
4.5 kB
OOH-02-Dele
CONTCAR
4.1 kB
VCN
CONTCAR
3.6 kB
Ni
CONTCAR
3.7 kB
H
CONTCAR
3.9 kB
ZPE
CONTCAR
4.3 kB
O
CONTCAR
3.9 kB
ZPE
CONTCAR
4.3 kB
O2
CONTCAR
4.0 kB
OH
CONTCAR
4.0 kB
ZPE
CONTCAR
4.4 kB
OOH
CONTCAR
4.1 kB
ZPE
CONTCAR
4.5 kB
VN
CONTCAR
3.7 kB
Zn
CONTCAR
3.8 kB
H
CONTCAR
4.0 kB
ZPE
CONTCAR
4.4 kB
O
CONTCAR
4.0 kB
ZPE
CONTCAR
4.4 kB
O2-01
CONTCAR
4.1 kB
O2-02-Dele
CONTCAR
4.1 kB
OH
CONTCAR
4.1 kB
ZPE
CONTCAR
4.5 kB
OOH-01
CONTCAR
4.2 kB
ZPE
CONTCAR
4.6 kB
Nanotube
Armchair
NM-1010
Primitive-Cell
CONTCAR
9.1 kB
Further
CONTCAR
9.1 kB
SuperCell
CONTCAR
17.9 kB
VCB
CONTCAR
17.7 kB
Ni
311
CONTCAR
17.8 kB
CONTCAR
17.8 kB
O2
311
CONTCAR
18.0 kB
CONTCAR
18.0 kB
OOH
01
311
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
CONTCAR
18.2 kB
02-Sele
311
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
CONTCAR
18.2 kB
03
311
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
CONTCAR
18.2 kB
Pd
2OH
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
Bader
CONTCAR
17.8 kB
CONTCAR
17.8 kB
H
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O2
CONTCAR
18.0 kB
OH
CONTCAR
18.1 kB
ZPE
CONTCAR
20.0 kB
OOH
01
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
02
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
03
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
SPE
CONTCAR
17.8 kB
DOS
CONTCAR
17.8 kB
VCC
CONTCAR
17.7 kB
Ni
2OH
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
Bader
CONTCAR
17.8 kB
CONTCAR
17.8 kB
H
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O
02
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O2
CONTCAR
18.0 kB
OH
02
CONTCAR
18.1 kB
ZPE
CONTCAR
20.0 kB
CONTCAR
18.1 kB
ZPE
CONTCAR
20.0 kB
OOH
01
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
02
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
SPE
CONTCAR
17.8 kB
DOS
CONTCAR
17.8 kB
Te
2OH
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
CONTCAR
17.8 kB
H
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O2
CONTCAR
18.0 kB
OH
CONTCAR
18.1 kB
ZPE
CONTCAR
20.0 kB
OOH
01
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
02
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
VCN
CONTCAR
17.7 kB
Ni
2OH
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
Bader
CONTCAR
17.8 kB
CONTCAR
17.8 kB
H
CONTCAR
17.9 kB
ZPE
CONTCAR
19.9 kB
O-Delete
02
CONTCAR
17.9 kB
CONTCAR
17.9 kB
O2
CONTCAR
18.0 kB
OH
CONTCAR
18.1 kB
ZPE
CONTCAR
20.0 kB
OOH
01
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
02
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
SPE
CONTCAR
17.8 kB
DOS
CONTCAR
17.8 kB
VN
CONTCAR
17.8 kB
Rh
2OH
CONTCAR
18.4 kB
ZPE
CONTCAR
20.4 kB
CONTCAR
17.9 kB
H
CONTCAR
18.0 kB
ZPE
CONTCAR
20.0 kB
O
CONTCAR
18.0 kB
ZPE
CONTCAR
20.0 kB
O2
CONTCAR
18.2 kB
OH
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
OOH
01
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
02
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
Zn
2OH
CONTCAR
18.4 kB
ZPE
CONTCAR
20.4 kB
Bader
CONTCAR
17.9 kB
CONTCAR
17.9 kB
H
CONTCAR
18.0 kB
ZPE
CONTCAR
20.0 kB
O
CONTCAR
18.0 kB
ZPE
CONTCAR
20.0 kB
O2
CONTCAR
18.2 kB
OH
CONTCAR
18.2 kB
ZPE
CONTCAR
20.1 kB
OOH
CONTCAR
18.3 kB
ZPE
CONTCAR
20.3 kB
SPE
CONTCAR
17.9 kB
DOS
CONTCAR
17.9 kB
NM-44
Primitive-Cell
CONTCAR
3.8 kB
Further
CONTCAR
3.8 kB
SuperCell
331
CONTCAR
7.4 kB
CONTCAR
7.4 kB
VCB
CONTCAR
7.1 kB
Ni
311
CONTCAR
7.3 kB
CONTCAR
7.3 kB
O2
311
CONTCAR
7.5 kB
CONTCAR
7.5 kB
OOH
01-Sele
311
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
CONTCAR
7.6 kB
02
311
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
CONTCAR
7.6 kB
03
311
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
CONTCAR
7.6 kB
Pd
2OH
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
Bader
CONTCAR
7.3 kB
CONTCAR
7.3 kB
H
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O2
CONTCAR
7.5 kB
OH
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
OOH
01
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
02
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
SPE
CONTCAR
7.3 kB
DOS
CONTCAR
7.3 kB
VCC
CONTCAR
7.1 kB
Ni
2OH
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
Bader
CONTCAR
7.3 kB
CONTCAR
7.3 kB
H
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O2
CONTCAR
7.5 kB
OH
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
OOH
01
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
02
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
SPE
CONTCAR
7.3 kB
DOS
CONTCAR
7.3 kB
Te
2OH
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
CONTCAR
7.3 kB
H
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O2
CONTCAR
7.5 kB
OH
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
OOH
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
VCN
CONTCAR
7.1 kB
Ni
2OH
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
Bader
CONTCAR
7.3 kB
CONTCAR
7.3 kB
H
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O
02
CONTCAR
7.4 kB
CONTCAR
7.4 kB
ZPE
CONTCAR
8.2 kB
O2
CONTCAR
7.5 kB
OH
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
OOH
01
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
02
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
SPE
CONTCAR
7.3 kB
DOS
CONTCAR
7.3 kB
VN
CONTCAR
7.2 kB
Rh
2OH
CONTCAR
7.8 kB
ZPE
CONTCAR
8.7 kB
CONTCAR
7.4 kB
H
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
O
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
O2
CONTCAR
7.6 kB
OH
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
OOH
01
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
02
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
Zn
2OH
02
CONTCAR
7.8 kB
ZPE
CONTCAR
8.7 kB
CONTCAR
7.8 kB
Bader
CONTCAR
7.4 kB
CONTCAR
7.4 kB
H
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
O
CONTCAR
7.5 kB
ZPE
CONTCAR
8.3 kB
O2
CONTCAR
7.6 kB
OH
CONTCAR
7.6 kB
ZPE
CONTCAR
8.4 kB
OOH
CONTCAR
7.7 kB
ZPE
CONTCAR
8.5 kB
SPE
CONTCAR
7.4 kB
DOS
CONTCAR
7.4 kB
NM-66
Primitive-Cell
CONTCAR
5.6 kB
Further
CONTCAR
5.6 kB
SuperCell
CONTCAR
10.9 kB
VCB
CONTCAR
10.7 kB
Ni
311
CONTCAR
10.8 kB
CONTCAR
10.8 kB
O2
311
CONTCAR
11.0 kB
CONTCAR
11.0 kB
OOH
01
311
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
CONTCAR
11.1 kB
02-Sele
311
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
CONTCAR
11.1 kB
03
311
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
CONTCAR
11.1 kB
Pd
2OH
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
Bader
CONTCAR
10.8 kB
CONTCAR
10.8 kB
H
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O2
CONTCAR
11.0 kB
OH
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
OOH
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
SPE
CONTCAR
10.8 kB
DOS
CONTCAR
10.8 kB
VCC
CONTCAR
10.7 kB
Ni
2OH
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
Bader
CONTCAR
10.8 kB
CONTCAR
10.8 kB
H
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O
02
CONTCAR
10.9 kB
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O2
CONTCAR
11.0 kB
OH
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
OOH
01
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
02
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
SPE
CONTCAR
10.8 kB
DOS
CONTCAR
10.8 kB
Te
2OH
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
CONTCAR
10.8 kB
H
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O2
CONTCAR
11.0 kB
OH
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
OOH
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
VCN
CONTCAR
10.7 kB
Ni
2OH
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
Bader
CONTCAR
10.8 kB
CONTCAR
10.8 kB
H
CONTCAR
10.9 kB
ZPE
CONTCAR
12.1 kB
O-Delete
02
CONTCAR
10.9 kB
CONTCAR
10.9 kB
O2
CONTCAR
11.0 kB
OH
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
OH-Delete
01
CONTCAR
11.0 kB
02
CONTCAR
11.0 kB
OOH
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
SPE
CONTCAR
10.8 kB
DOS
CONTCAR
10.8 kB
VN
CONTCAR
10.8 kB
Rh
2OH
CONTCAR
11.3 kB
ZPE
CONTCAR
12.6 kB
CONTCAR
10.9 kB
H
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
O
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
O2
CONTCAR
11.1 kB
OH
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
OOH
01
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
02
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
03
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
Zn
2OH
CONTCAR
11.3 kB
ZPE
CONTCAR
12.6 kB
Bader
CONTCAR
10.9 kB
CONTCAR
10.9 kB
H
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
O
CONTCAR
11.0 kB
ZPE
CONTCAR
12.2 kB
O2
CONTCAR
11.1 kB
OH
CONTCAR
11.1 kB
ZPE
CONTCAR
12.3 kB
OOH
CONTCAR
11.2 kB
ZPE
CONTCAR
12.4 kB
SPE
CONTCAR
10.9 kB
DOS
CONTCAR
10.9 kB
NM-88
Primitive-Cell
CONTCAR
7.4 kB
Further
CONTCAR
7.4 kB
SuperCell
CONTCAR
14.4 kB
VCB
CONTCAR
14.2 kB
Ni
311
CONTCAR
14.3 kB
CONTCAR
14.3 kB
O2
311
CONTCAR
14.5 kB
CONTCAR
14.5 kB
OOH
01
311
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
CONTCAR
14.6 kB
02-Sele
311
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
CONTCAR
14.6 kB
03
311
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
CONTCAR
14.6 kB
Pd
2OH
02
CONTCAR
14.8 kB
ZPE
CONTCAR
16.3 kB
CONTCAR
14.8 kB
Bader
CONTCAR
14.3 kB
CONTCAR
14.3 kB
H
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O2
CONTCAR
14.5 kB
OH
CONTCAR
14.5 kB
ZPE
CONTCAR
16.1 kB
OOH
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
SPE
CONTCAR
14.3 kB
DOS
CONTCAR
14.3 kB
VCC
CONTCAR
14.2 kB
Ni
2OH
02
CONTCAR
14.8 kB
ZPE
CONTCAR
16.3 kB
CONTCAR
14.8 kB
ZPE
CONTCAR
0 Bytes
Bader
CONTCAR
14.3 kB
CONTCAR
14.3 kB
H
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O
02
CONTCAR
14.4 kB
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O2
CONTCAR
14.5 kB
OH
CONTCAR
14.5 kB
ZPE
CONTCAR
16.1 kB
OOH
01
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
02
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
SPE
CONTCAR
14.3 kB
DOS
CONTCAR
14.3 kB
Te
2OH
CONTCAR
14.8 kB
ZPE
CONTCAR
16.3 kB
CONTCAR
14.3 kB
H
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O2
CONTCAR
14.5 kB
OH
CONTCAR
14.5 kB
ZPE
CONTCAR
16.1 kB
OOH
01
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
02
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
VCN
CONTCAR
14.2 kB
Ni
2OH
CONTCAR
14.8 kB
ZPE
CONTCAR
16.3 kB
Bader
CONTCAR
14.3 kB
CONTCAR
14.3 kB
H
CONTCAR
14.4 kB
ZPE
CONTCAR
16.0 kB
O-Delete
02
CONTCAR
14.4 kB
CONTCAR
14.4 kB
O2
CONTCAR
14.5 kB
OH
CONTCAR
14.5 kB
ZPE
CONTCAR
16.1 kB
OH-Delete
01
CONTCAR
14.5 kB
02
CONTCAR
14.5 kB
OOH
CONTCAR
14.6 kB
ZPE
CONTCAR
16.2 kB
SPE
CONTCAR
14.3 kB
DOS
CONTCAR
14.3 kB
VN
CONTCAR
14.3 kB
Rh
2OH
CONTCAR
14.9 kB
ZPE
CONTCAR
16.5 kB
CONTCAR
14.4 kB
H
CONTCAR
14.5 kB
ZPE
CONTCAR
16.1 kB