MaterialsArchive2.zip
MaterialsArchive2
MaterialsArchive
Mass_spectrum_data
FEBiMS-data.txt
4.5 MB
gas-phase-empa.txt
3.2 MB
gas-phase-prague.txt
17.0 MB
Me
geoopt
slab_Me_1.inp
2.1 kB
slab_Me_1.out
18.3 MB
slab_Me_1_out-pos-1.xyz
63.8 kB
slab_Me_2.inp
2.1 kB
slab_Me_2.out
7.0 MB
slab_Me_2_out-pos-1.xyz
1.8 MB
slab_Me_3.inp
2.1 kB
slab_Me_3.out
20.4 MB
slab_Me_3b_out-pos-1.xyz
6.8 MB
slab_Me_4.inp
2.1 kB
slab_Me_4.out
13.4 kB
slab_Me_4b_out-pos-1.xyz
7.0 MB
interaction_energy
slab_Me_3b_Eint.inp
2.7 kB
slab_Me_3b_Eint.out
1.0 MB
slab_Me_3b_out.xyz
31.9 kB
Me+
geoopt
slab_Me_1.inp
2.1 kB
slab_Me_1.out
2.0 MB
slab_Me_1_out-pos-1.xyz
255.2 kB
slab_Me_2.inp
2.1 kB
slab_Me_2.out
4.6 MB
slab_Me_2_out-pos-1.xyz
382.8 kB
slab_Me_3.inp
2.1 kB
slab_Me_3.out
3.9 MB
slab_Me_3_out-pos-1.xyz
382.8 kB
slab_Me_4.inp
2.1 kB
slab_Me_4.out
1.9 MB
slab_Me_4_out-pos-1.xyz
255.2 kB
interaction_energy
slab_Me_3_Eint.inp
2.5 kB
slab_Me_3_Eint.out
1.0 MB
slab_Me_3_out.xyz
31.9 kB
MeCpPtMe
geoopt
slab_MeCpPtMe_1-pos-1.xyz
3.3 MB
slab_MeCpPtMe_1.inp
2.1 kB
slab_MeCpPtMe_1.out
12.8 MB
slab_MeCpPtMe_1.xyz
24.7 kB
slab_MeCpPtMe_2-pos-1.xyz
8.7 MB
slab_MeCpPtMe_2.inp
2.1 kB
slab_MeCpPtMe_2.out
7.5 MB
slab_MeCpPtMe_2.xyz
24.7 kB
slab_MeCpPtMe_3-pos-1.xyz
13.4 MB
slab_MeCpPtMe_3.inp
2.1 kB
slab_MeCpPtMe_3.out
1.2 MB
slab_MeCpPtMe_3.xyz
24.7 kB
slab_MeCpPtMe_4-pos-1.xyz
7.2 MB
slab_MeCpPtMe_4.inp
2.1 kB
slab_MeCpPtMe_4.out
12.1 MB
slab_MeCpPtMe_4.xyz
24.7 kB
interaction_energy
slab_MeCpPtMe_3_Eint.inp
2.7 kB
slab_MeCpPtMe_3_Eint.out
1.2 MB
slab_MeCpPtMe_3_opt.xyz
32.8 kB
MeCpPtMe+
geoopt
slab_MeCpPtMe_1-pos-1.xyz
4.3 MB
slab_MeCpPtMe_1.inp
2.1 kB
slab_MeCpPtMe_1.out
15.9 MB
slab_MeCpPtMe_1.xyz
24.7 kB
slab_MeCpPtMe_2-pos-1.xyz
5.3 MB
slab_MeCpPtMe_2.inp
2.1 kB
slab_MeCpPtMe_2.out
19.6 MB
slab_MeCpPtMe_2.xyz
24.7 kB
slab_MeCpPtMe_3-pos-1.xyz
9.1 MB
slab_MeCpPtMe_3.inp
2.1 kB
slab_MeCpPtMe_3.out
34.1 MB
slab_MeCpPtMe_3.xyz
24.7 kB
slab_MeCpPtMe_4-pos-1.xyz
6.1 MB
slab_MeCpPtMe_4.inp
2.1 kB
slab_MeCpPtMe_4.out
23.0 MB
slab_MeCpPtMe_4.xyz
24.7 kB
interaction_energy
slab_MeCpPtMe_3_Eint.inp
2.7 kB
slab_MeCpPtMe_3_Eint.out
1.2 MB
slab_MeCpPtMe_3_opt.xyz
32.8 kB
MeCpPtMe2
geoopt
slab_MeCpPtMe2_1-pos-1.xyz
3.1 MB
slab_MeCpPtMe2_1.inp
2.1 kB
slab_MeCpPtMe2_1.out
12.2 MB
slab_MeCpPtMe2_1.xyz
20.8 kB
slab_MeCpPtMe2_2-pos-1.xyz
4.6 MB
slab_MeCpPtMe2_2.inp
2.1 kB
slab_MeCpPtMe2_2.out
17.4 MB
slab_MeCpPtMe2_2.xyz
20.8 kB
slab_MeCpPtMe2_3-pos-1.xyz
3.4 MB
slab_MeCpPtMe2_3.inp
2.1 kB
slab_MeCpPtMe2_3.out
12.6 MB
slab_MeCpPtMe2_3.xyz
20.8 kB
slab_MeCpPtMe2_4-pos-1.xyz
10.5 MB
slab_MeCpPtMe2_4.inp
2.1 kB
slab_MeCpPtMe2_4.out
38.9 MB
slab_MeCpPtMe2_4.xyz
20.8 kB
interaction_energy
slab_MeCpPtMe2_4_Eint.inp
2.7 kB
slab_MeCpPtMe2_4_Eint.out
1.2 MB
slab_MeCpPtMe2_4_out.xyz
33.1 kB
MeCpPtMe2+
geoopt
slab_MeCpPtMe2_1-pos-1.xyz
3.1 MB
slab_MeCpPtMe2_1.inp
2.1 kB
slab_MeCpPtMe2_1.mol2
49.0 kB
slab_MeCpPtMe2_1.out
12.2 MB
slab_MeCpPtMe2_1.xyz
20.8 kB
slab_MeCpPtMe2_2-pos-1.xyz
12.6 MB
slab_MeCpPtMe2_2.inp
2.1 kB
slab_MeCpPtMe2_2.mol2
30.1 kB
slab_MeCpPtMe2_2.out
46.6 MB
slab_MeCpPtMe2_2.xyz
20.8 kB
slab_MeCpPtMe2_3-pos-1.xyz
10.1 MB
slab_MeCpPtMe2_3.inp
2.1 kB
slab_MeCpPtMe2_3.mol2
30.1 kB
slab_MeCpPtMe2_3.out
22.3 MB
slab_MeCpPtMe2_3.xyz
20.8 kB
slab_MeCpPtMe2_4-pos-1.xyz
9.6 MB
slab_MeCpPtMe2_4.inp
2.1 kB
slab_MeCpPtMe2_4.mol2
30.1 kB
slab_MeCpPtMe2_4.out
34.9 MB
slab_MeCpPtMe2_4.xyz
20.8 kB
interaction_energy
slab_MeCpPtMe2_2_Eint.inp
2.7 kB
slab_MeCpPtMe2_2_Eint.out
1.2 MB
slab_MeCpPtMe2_2_out.xyz
33.1 kB
MeCpPtMe3
geoopt
slab_MeCpPtMe3_1.inp
2.1 kB
slab_MeCpPtMe3_1.out
73.1 MB
slab_MeCpPtMe3_1.xyz
21.0 kB
slab_MeCpPtMe3_1_out-pos-1.xyz
19.5 MB
slab_MeCpPtMe3_2.inp
2.1 kB
slab_MeCpPtMe3_2.out
29.1 MB
slab_MeCpPtMe3_2.xyz
21.0 kB
slab_MeCpPtMe3_2_out-pos-1.xyz
7.8 MB
slab_MeCpPtMe3_3.inp
2.1 kB
slab_MeCpPtMe3_3.out
20.6 MB
slab_MeCpPtMe3_3.xyz
21.0 kB
slab_MeCpPtMe3_3_out-pos-1.xyz
5.5 MB
slab_MeCpPtMe3_4.inp
2.1 kB
slab_MeCpPtMe3_4.out
20.5 MB
slab_MeCpPtMe3_4.xyz
21.0 kB
slab_MeCpPtMe3_4_out-pos-1.xyz
5.4 MB
slab_MeCpPtMe3_5.inp
2.1 kB
slab_MeCpPtMe3_5.out
29.2 MB
slab_MeCpPtMe3_5.xyz
21.0 kB
slab_MeCpPtMe3_5_out-pos-1.xyz
7.8 MB
slab_MeCpPtMe3_6.inp
2.1 kB
slab_MeCpPtMe3_6.out
26.9 MB
slab_MeCpPtMe3_6.xyz
21.0 kB
slab_MeCpPtMe3_6_out-pos-1.xyz
7.2 MB
slab_MeCpPtMe3_7.inp
2.1 kB
slab_MeCpPtMe3_7.out
7.0 MB
slab_MeCpPtMe3_7.xyz
21.0 kB
slab_MeCpPtMe3_7_out-pos-1.xyz
1.8 MB
slab_MeCpPtMe3_8.inp
2.1 kB
slab_MeCpPtMe3_8.out
11.1 MB
slab_MeCpPtMe3_8.xyz
21.0 kB
slab_MeCpPtMe3_8_out-pos-1.xyz
2.9 MB
interaction_energy
slab_MeCpPtMe3_1_Eint.inp
2.7 kB
slab_MeCpPtMe3_1_Eint.out
1.2 MB
slab_MeCpPtMe3_1_out.xyz
33.3 kB
slab_MeCpPtMe3_2_Eint.inp
2.7 kB
slab_MeCpPtMe3_2_Eint.out
1.2 MB
slab_MeCpPtMe3_2_out.xyz
33.3 kB
slab_MeCpPtMe3_3_Eint.inp
2.7 kB
slab_MeCpPtMe3_3_Eint.out
1.2 MB
slab_MeCpPtMe3_3_out.xyz
33.3 kB
slab_MeCpPtMe3_4_Eint.inp
2.7 kB
slab_MeCpPtMe3_4_Eint.out
1.2 MB
slab_MeCpPtMe3_4_out.xyz
33.3 kB
slab_MeCpPtMe3_5.out
875 Bytes
slab_MeCpPtMe3_5_Eint.inp
2.7 kB
slab_MeCpPtMe3_5_Eint.out
1.2 MB
slab_MeCpPtMe3_5_out.xyz
33.3 kB
slab_MeCpPtMe3_6_Eint.inp
2.7 kB
slab_MeCpPtMe3_6_Eint.out
1.2 MB
slab_MeCpPtMe3_6_out.xyz
33.3 kB
slab_MeCpPtMe3_7_Eint.inp
2.7 kB
slab_MeCpPtMe3_7_Eint.out
1.2 MB
slab_MeCpPtMe3_7_out.xyz
33.3 kB
slab_MeCpPtMe3_8_Eint.inp
2.7 kB
slab_MeCpPtMe3_8_Eint.out
1.2 MB
slab_MeCpPtMe3_8_out.xyz
33.3 kB
MeCpPtMe3+
geoopt
slab_MeCpPtMe3_1.inp
2.1 kB
slab_MeCpPtMe3_1.out
15.4 MB
slab_MeCpPtMe3_1_out-pos-1.xyz
4.1 MB
slab_MeCpPtMe3_1_out.xyz
33.3 kB
slab_MeCpPtMe3_2.inp
2.1 kB
slab_MeCpPtMe3_2.out
14.2 MB
slab_MeCpPtMe3_2_out-pos-1.xyz
3.7 MB
slab_MeCpPtMe3_2_out.xyz
33.3 kB
slab_MeCpPtMe3_3.inp
2.1 kB
slab_MeCpPtMe3_3.out
10.0 kB
slab_MeCpPtMe3_4.inp
2.1 kB
slab_MeCpPtMe3_4.out
13.1 MB
slab_MeCpPtMe3_4_out-pos-1.xyz
3.6 MB
slab_MeCpPtMe3_4_out.xyz
33.3 kB
slab_MeCpPtMe3_5.inp
2.1 kB
slab_MeCpPtMe3_5.out
8.4 MB
slab_MeCpPtMe3_5_out-pos-1.xyz
2.2 MB
slab_MeCpPtMe3_5_out.xyz
33.3 kB
slab_MeCpPtMe3_6.inp
2.1 kB
slab_MeCpPtMe3_6.out
2.7 MB
slab_MeCpPtMe3_6_out-pos-1.xyz
399.9 kB
slab_MeCpPtMe3_6_out.xyz
33.3 kB
slab_MeCpPtMe3_7.inp
2.1 kB
slab_MeCpPtMe3_7.out
61.7 MB
slab_MeCpPtMe3_7_out-pos-1.xyz
16.7 MB
slab_MeCpPtMe3_7_out.xyz
33.3 kB
slab_MeCpPtMe3_8.inp
2.1 kB
slab_MeCpPtMe3_8.out
2.7 MB
slab_MeCpPtMe3_8_out-pos-1.xyz
399.9 kB
slab_MeCpPtMe3_8_out.xyz
33.3 kB
interaction_energy
slab_MeCpPtMe3_1_Eint.inp
2.7 kB
slab_MeCpPtMe3_1_Eint.out
1.2 MB
slab_MeCpPtMe3_2_Eint.inp
2.7 kB
slab_MeCpPtMe3_2_Eint.out
1.2 MB
slab_MeCpPtMe3_3_Eint.inp
2.7 kB
slab_MeCpPtMe3_3_Eint.out
1.2 MB
slab_MeCpPtMe3_4_Eint.inp
2.7 kB
slab_MeCpPtMe3_4_Eint.out
1.2 MB
slab_MeCpPtMe3_5_Eint.inp
2.7 kB
slab_MeCpPtMe3_5_Eint.out
1.2 MB
slab_MeCpPtMe3_5_out.xyz
33.3 kB
slab_MeCpPtMe3_6_Eint.inp
2.7 kB
slab_MeCpPtMe3_6_Eint.out
1.2 MB
slab_MeCpPtMe3_7_Eint.inp
2.7 kB
slab_MeCpPtMe3_7_Eint.out
1.2 MB
slab_MeCpPtMe3_8_Eint.inp
2.7 kB
slab_MeCpPtMe3_8_Eint.out
1.2 MB
Pt
geoopt
slab_Pt_1.inp
2.0 kB
slab_Pt_1.out
16.7 MB
slab_Pt_1.xyz
20.0 kB
slab_Pt_1_out-pos-1.xyz
3.9 MB
slab_Pt_2.inp
2.0 kB
slab_Pt_2.out
10.3 MB
slab_Pt_2.xyz
20.0 kB
slab_Pt_2_out-pos-1.xyz
2.4 MB
slab_Pt_3.inp
2.0 kB
slab_Pt_3.out
13.4 MB
slab_Pt_3.xyz
20.0 kB
slab_Pt_3_out-pos-1.xyz
3.5 MB
slab_Pt_4.inp
2.0 kB
slab_Pt_4.out
4.1 MB
slab_Pt_4.xyz
20.0 kB
slab_Pt_4_out-pos-1.xyz
982.8 kB
interaction_energy
slab_Pt_1_Eint.inp
2.5 kB
slab_Pt_1_Eint.out
1.1 MB
slab_Pt_2_Eint.inp
2.5 kB
slab_Pt_2_Eint.out
1.1 MB
slab_Pt_3_Eint.inp
2.5 kB
slab_Pt_3_Eint.out
1.1 MB
slab_Pt_4_Eint.inp
2.5 kB
slab_Pt_4_Eint.out
1.1 MB
Pt+
geoopt
slab_Pt_1.inp
2.0 kB
slab_Pt_1.out
1.4 MB
slab_Pt_1.xyz
20.0 kB
slab_Pt_1_out-pos-1.xyz
126.8 kB
slab_Pt_2.inp
2.0 kB
slab_Pt_2.out
1.4 MB
slab_Pt_2.xyz
20.0 kB
slab_Pt_2_out-pos-1.xyz
126.8 kB
slab_Pt_3.inp
2.0 kB
slab_Pt_3.out
15.4 MB
slab_Pt_3.xyz
20.0 kB
slab_Pt_4.inp
2.0 kB
slab_Pt_4.out
11.9 MB
slab_Pt_4.xyz
20.0 kB
slab_Pt_4_out-pos-1.xyz
6.7 MB
interaction_energy
PtMe3
geoopt
slab_PtMe3_1.inp
2.1 kB
slab_PtMe3_1.mol2
51.8 kB
slab_PtMe3_1.out
14.6 MB
slab_PtMe3_1.xyz
20.5 kB
slab_PtMe3_1_out-pos-1.xyz
3.9 MB
slab_PtMe3_2.inp
2.1 kB
slab_PtMe3_2.out
30.2 MB
slab_PtMe3_2.xyz
20.5 kB
slab_PtMe3_2_out-pos-1.xyz
8.0 MB
slab_PtMe3_3.inp
2.1 kB
slab_PtMe3_3.out
15.5 MB
slab_PtMe3_3.xyz
20.5 kB
slab_PtMe3_3_out-pos-1.xyz
4.2 MB
slab_PtMe3_4.inp
2.1 kB
slab_PtMe3_4.out
8.8 MB
slab_PtMe3_4.xyz
20.5 kB
slab_PtMe3_4_out-pos-1.xyz
2.2 MB
interaction_energy
slab_PtMe3_3_Eint.inp
2.7 kB
slab_PtMe3_3_Eint.out
1.2 MB
slab_PtMe3_3_out.xyz
32.5 kB
PtMe3+
geoopt
slab_PtMe3_1.inp
2.1 kB
slab_PtMe3_1.out
28.8 MB
slab_PtMe3_1.xyz
20.5 kB
slab_PtMe3_1_out-pos-1.xyz
7.8 MB
slab_PtMe3_2.inp
2.1 kB
slab_PtMe3_2.out
23.8 MB
slab_PtMe3_2.xyz
20.5 kB
slab_PtMe3_2_out-pos-1.xyz
6.5 MB
slab_PtMe3_3.inp
2.1 kB
slab_PtMe3_3.out
22.7 MB
slab_PtMe3_3.xyz
20.5 kB
slab_PtMe3_3_out-pos-1.xyz
6.1 MB
slab_PtMe3_4.inp
2.1 kB
slab_PtMe3_4.out
20.0 MB
slab_PtMe3_4.xyz
20.5 kB
slab_PtMe3_4_out-pos-1.xyz
5.2 MB
interaction_energy
slab_PtMe3_3_Eint.inp
2.7 kB
slab_PtMe3_3_Eint.out
1.1 MB
slab_PtMe3_3_out.xyz
32.5 kB