PBE0_databases.zip
PBE0
.DS_Store
6.1 kB
MeOH-TL
training
1
box.raw
44.2 kB
coord.raw
30.9 MB
energy.raw
20.0 kB
force.raw
53.0 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
34.7 kB
coord.npy
10.7 MB
energy.npy
4.0 kB
force.npy
10.7 MB
type.raw
2.8 kB
2
box.raw
56.9 kB
coord.raw
33.1 MB
energy.raw
25.8 kB
force.raw
68.4 MB
set.000
box.npy
44.7 kB
coord.npy
13.8 MB
energy.npy
5.1 kB
force.npy
13.8 MB
type.raw
2.8 kB
3
box.raw
5.9 kB
coord.raw
3.5 MB
energy.raw
2.7 kB
force.raw
7.1 MB
set.000
box.npy
4.8 kB
coord.npy
1.4 MB
energy.npy
644 Bytes
force.npy
1.4 MB
type.raw
2.8 kB
validation
1
box.raw
11.0 kB
coord.raw
7.6 MB
energy.raw
5.0 kB
force.raw
13.2 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
8.7 kB
coord.npy
2.7 MB
energy.npy
1.1 kB
force.npy
2.7 MB
type.raw
2.8 kB
2
box.raw
14.2 kB
coord.raw
8.3 MB
energy.raw
6.4 kB
force.raw
17.1 MB
set.000
box.npy
11.3 kB
coord.npy
3.5 MB
energy.npy
1.4 kB
force.npy
3.5 MB
type.raw
2.8 kB
3
box.raw
1.4 kB
coord.raw
803.1 kB
energy.raw
626 Bytes
force.raw
1.7 MB
set.000
box.npy
1.2 kB
coord.npy
335.3 kB
energy.npy
248 Bytes
force.npy
335.3 kB
type.raw
2.8 kB
MeOH-full
training
1
box.raw
94.0 kB
coord.raw
92.8 MB
energy.raw
56.5 kB
force.raw
156.9 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
102.7 kB
coord.npy
31.8 MB
energy.npy
11.5 kB
force.npy
31.8 MB
type.raw
1.9 kB
2
box.raw
29.0 kB
coord.raw
28.7 MB
energy.raw
17.5 kB
force.raw
48.6 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
31.8 kB
coord.npy
9.8 MB
energy.npy
3.6 kB
force.npy
9.8 MB
type.raw
1.9 kB
3
box.raw
23.3 kB
coord.raw
23.3 MB
energy.raw
14.0 kB
force.raw
39.1 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
25.6 kB
coord.npy
7.9 MB
energy.npy
3.0 kB
force.npy
7.9 MB
type.raw
1.9 kB
4
box.raw
4.0 kB
coord.raw
2.4 MB
energy.raw
1.8 kB
force.raw
4.9 MB
set.000
box.npy
3.3 kB
coord.npy
983.3 kB
energy.npy
480 Bytes
force.npy
983.3 kB
type.raw
2.8 kB
5
box.raw
12.7 kB
coord.raw
7.4 MB
energy.raw
5.8 kB
force.raw
15.3 MB
set.000
box.npy
10.1 kB
coord.npy
3.1 MB
energy.npy
1.2 kB
force.npy
3.1 MB
type.raw
2.8 kB
6
box.raw
66.5 kB
coord.raw
38.7 MB
energy.raw
30.1 kB
force.raw
79.9 MB
set.000
box.npy
52.1 kB
coord.npy
16.1 MB
energy.npy
5.9 kB
force.npy
16.1 MB
type.raw
2.8 kB
7
box.raw
55.1 kB
coord.raw
32.1 MB
energy.raw
25.0 kB
force.raw
66.2 MB
set.000
box.npy
43.3 kB
coord.npy
13.4 MB
energy.npy
4.9 kB
force.npy
13.4 MB
type.raw
2.8 kB
validation
1
box.raw
26.8 kB
coord.raw
23.2 MB
energy.raw
14.1 kB
force.raw
39.3 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
25.8 kB
coord.npy
8.0 MB
energy.npy
3.0 kB
force.npy
8.0 MB
type.raw
1.9 kB
2
box.raw
7.3 kB
coord.raw
7.2 MB
energy.raw
4.4 kB
force.raw
12.3 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
8.1 kB
coord.npy
2.5 MB
energy.npy
1.0 kB
force.npy
2.5 MB
type.raw
1.9 kB
3
box.raw
5.8 kB
coord.raw
5.8 MB
energy.raw
3.5 kB
force.raw
9.8 MB
raw_to_set.sh
2.5 kB
set.000
box.npy
6.5 kB
coord.npy
2.0 MB
energy.npy
836 Bytes
force.npy
2.0 MB
type.raw
1.9 kB
4
box.raw
1.0 kB
coord.raw
588.4 kB
energy.raw
457 Bytes
force.raw
1.2 MB
set.000
box.npy
920 Bytes
coord.npy
245.9 kB
energy.npy
216 Bytes
force.npy
245.9 kB
type.raw
2.8 kB
5
box.raw
3.2 kB
coord.raw
1.8 MB
energy.raw
1.4 kB
force.raw
3.8 MB
set.000
box.npy
2.6 kB
coord.npy
771.0 kB
energy.npy
404 Bytes
force.npy
771.0 kB
type.raw
2.8 kB
6
box.raw
16.6 kB
coord.raw
9.7 MB
energy.raw
7.5 kB
force.raw
20.0 MB
set.000
box.npy
13.1 kB
coord.npy
4.0 MB
energy.npy
1.6 kB
force.npy
4.0 MB
type.raw
2.8 kB
7
box.raw
13.8 kB
coord.raw
8.0 MB
energy.raw
6.2 kB
force.raw
16.5 MB
set.000
box.npy
10.9 kB
coord.npy
3.3 MB
energy.npy
1.3 kB
force.npy
3.3 MB
type.raw
2.8 kB
TFE-TL
training
1
box.raw
68.8 kB
coord.raw
41.5 MB
energy.raw
33.1 kB
force.raw
77.0 MB
set.000
box.npy
57.7 kB
coord.npy
15.6 MB
energy.npy
6.5 kB
force.npy
15.6 MB
type.raw
2.4 kB
2
box.raw
10.1 kB
coord.raw
5.5 MB
energy.raw
4.9 kB
force.raw
11.4 MB
set.000
box.npy
8.6 kB
coord.npy
2.3 MB
energy.npy
1.1 kB
force.npy
2.3 MB
type.raw
2.4 kB
3
box.raw
41.9 kB
coord.raw
22.8 MB
energy.raw
20.2 kB
force.raw
47.1 MB
set.000
box.npy
35.2 kB
coord.npy
9.5 MB
energy.npy
4.0 kB
force.npy
9.5 MB
type.raw
2.4 kB
4
box.raw
66.1 kB
coord.raw
35.9 MB
energy.raw
31.8 kB
force.raw
74.2 MB
set.000
box.npy
55.5 kB
coord.npy
15.0 MB
energy.npy
6.3 kB
force.npy
15.0 MB
type.raw
2.4 kB
validation
1
box.raw
17.2 kB
coord.raw
10.4 MB
energy.raw
8.3 kB
force.raw
19.3 MB
set.000
box.npy
14.5 kB
coord.npy
3.9 MB
energy.npy
1.7 kB
force.npy
3.9 MB
type.raw
2.4 kB
2
box.raw
2.5 kB
coord.raw
1.4 MB
energy.raw
1.2 kB
force.raw
2.8 MB
set.000
box.npy
2.2 kB
coord.npy
566.7 kB
energy.npy
360 Bytes
force.npy
566.7 kB
type.raw
2.4 kB
3
box.raw
10.4 kB
coord.raw
5.7 MB
energy.raw
5.0 kB
force.raw
11.7 MB
set.000
box.npy
8.9 kB
coord.npy
2.4 MB
energy.npy
1.1 kB
force.npy
2.4 MB
type.raw
2.4 kB
4
box.raw
16.5 kB
coord.raw
8.9 MB
energy.raw
7.9 kB
force.raw
18.5 MB
set.000
box.npy
13.9 kB
coord.npy
3.7 MB
energy.npy
1.7 kB
force.npy
3.7 MB
type.raw
2.4 kB
__MACOSX
._PBE0
210 Bytes
PBE0
._.DS_Store
120 Bytes
._MeOH-TL
210 Bytes
._MeOH-full
210 Bytes
._TFE-TL
210 Bytes
MeOH-TL
._training
210 Bytes
._validation
210 Bytes
training
._1
210 Bytes
._2
210 Bytes
._3
210 Bytes
1
._set.000
210 Bytes
2
._set.000
210 Bytes
3
._set.000
210 Bytes
validation
._1
210 Bytes
._2
210 Bytes
._3
210 Bytes
1
._set.000
210 Bytes
2
._set.000
210 Bytes
3
._set.000
210 Bytes
MeOH-full
._training
210 Bytes
._validation
210 Bytes
training
._1
210 Bytes
._2
210 Bytes
._3
210 Bytes
._4
210 Bytes
._5
210 Bytes
._6
210 Bytes
._7
210 Bytes
1
._set.000
210 Bytes
2
._set.000
210 Bytes
3
._set.000
210 Bytes
4
._set.000
210 Bytes
5
._set.000
210 Bytes
6
._set.000
210 Bytes
7
._set.000
210 Bytes
validation
._1
210 Bytes
._2
210 Bytes
._3
210 Bytes
._4
210 Bytes
._5
210 Bytes
._6
210 Bytes
._7
210 Bytes
1
._set.000
210 Bytes
2
._set.000
210 Bytes
3
._set.000
210 Bytes
4
._set.000
210 Bytes
5
._set.000
210 Bytes
6
._set.000
210 Bytes
7
._set.000
210 Bytes
TFE-TL
._training
210 Bytes
._validation
210 Bytes
training
._1
210 Bytes
._2
210 Bytes
._3
210 Bytes
._4
210 Bytes
1
._set.000
210 Bytes
2
._set.000
210 Bytes
3
._set.000
210 Bytes
4
._set.000
210 Bytes
validation
._1
210 Bytes
._2
210 Bytes
._3
210 Bytes
._4
210 Bytes
1
._set.000
210 Bytes
2
._set.000
210 Bytes
3
._set.000
210 Bytes
4
._set.000
210 Bytes