Database.zip
Database
Ge2Te_100
box.raw
11.5 MB
coord.raw
384.8 MB
energy.raw
1.3 MB
force.raw
392.4 MB
type.raw
200 Bytes
type_map.raw
6 Bytes
virial.raw
11.7 MB
Ge2Te_Ex
box.raw
225.0 kB
coord.raw
7.5 MB
energy.raw
26.0 kB
force.raw
7.7 MB
type.raw
200 Bytes
type_map.raw
6 Bytes
virial.raw
228.6 kB
Ge2Te_Ex2
box.raw
191.2 kB
coord.raw
6.4 MB
energy.raw
22.1 kB
force.raw
6.5 MB
type.raw
200 Bytes
type_map.raw
6 Bytes
virial.raw
194.2 kB
Ge2Te_Int
box.raw
81.6 kB
coord.raw
12.2 MB
energy.raw
11.2 kB
force.raw
12.2 MB
type.raw
600 Bytes
type_map.raw
6 Bytes
virial.raw
121.6 kB
Ge3Te_300
box.raw
450.0 kB
coord.raw
45.0 MB
energy.raw
52.0 kB
force.raw
45.9 MB
type.raw
600 Bytes
type_map.raw
6 Bytes
virial.raw
457.1 kB
Ge9Te_300
box.raw
450.0 kB
coord.raw
45.0 MB
energy.raw
52.0 kB
force.raw
45.9 MB
type.raw
600 Bytes
type_map.raw
6 Bytes
virial.raw
456.0 kB
GeTe_108
box.raw
8.8 MB
coord.raw
315.9 MB
energy.raw
1.0 MB
force.raw
322.2 MB
type.raw
216 Bytes
type_map.raw
6 Bytes
virial.raw
8.9 MB
GeTe_Cryst
box.raw
877.5 kB
coord.raw
28.1 MB
energy.raw
101.4 kB
force.raw
28.6 MB
type.raw
192 Bytes
type_map.raw
6 Bytes
virial.raw
893.0 kB
Ge_144
box.raw
6.7 MB
coord.raw
322.9 MB
energy.raw
777.4 kB
force.raw
329.4 MB
type.raw
288 Bytes
type_map.raw
6 Bytes
virial.raw
6.8 MB
Ge_Cryst
box.raw
843.8 kB
coord.raw
18.0 MB
energy.raw
97.5 kB
force.raw
18.4 MB
type.raw
129 Bytes
type_map.raw
6 Bytes
virial.raw
861.3 kB
README
1.9 kB
basis_pseudopotentials
basis_set
2.5 kB
pseudopotentials
1.2 kB