dpgen_files.zip
dpgen_files
Li3ClO_deepmd_model.pb
5.2 MB
dataset
data.000.iter0
box.raw
112.5 kB
coord.raw
5.0 MB
energy.raw
13.0 kB
force.raw
5.1 MB
set.000
box.npy
18.1 kB
coord.npy
798.1 kB
energy.npy
2.1 kB
force.npy
798.1 kB
virial.npy
18.1 kB
type.raw
266 Bytes
type_map.raw
8 Bytes
virial.raw
115.1 kB
data.000.iter1
box.raw
112.5 kB
coord.raw
5.0 MB
energy.raw
13.0 kB
force.raw
5.1 MB
set.000
box.npy
18.1 kB
coord.npy
798.1 kB
energy.npy
2.1 kB
force.npy
798.1 kB
virial.npy
18.1 kB
type.raw
266 Bytes
type_map.raw
8 Bytes
virial.raw
115.5 kB
data.300
box.raw
225.0 kB
coord.raw
9.2 MB
energy.raw
20.2 kB
force.raw
9.4 MB
set.000
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.001
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.002
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.003
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.004
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
type.raw
266 Bytes
virial.raw
213.8 kB
data.450
box.raw
225.0 kB
coord.raw
9.2 MB
energy.raw
20.2 kB
force.raw
9.4 MB
set.000
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.001
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.002
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.003
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.004
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
type.raw
266 Bytes
virial.raw
214.3 kB
data.600
box.raw
225.0 kB
coord.raw
9.2 MB
energy.raw
20.2 kB
force.raw
9.4 MB
set.000
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.001
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.002
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.003
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
set.004
box.npy
7.3 kB
coord.npy
319.3 kB
energy.npy
928 Bytes
force.npy
319.3 kB
virial.npy
7.3 kB
type.raw
266 Bytes
virial.raw
213.7 kB
param.json
2.5 kB
pseudo
Cl_ONCV_PBE-1.1.upf
90.1 kB
Li_ONCV_PBE-1.0.upf
90.0 kB
O_ONCV_PBE-1.0.upf
90.0 kB