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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 2101-2125 out of 2180
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E
ASE-calculator name (calculator)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
Volume
✕
Au_rate
✕
Energy
✕
Maximum stress
✕
Si_rate
✕
2101
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.242
0.636
-81.788
0.001
0.364
2102
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.390
0.636
-81.790
0.001
0.364
2103
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.474
0.636
-81.790
0.001
0.364
2104
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.726
0.636
-81.794
0.001
0.364
2105
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.072
0.636
-81.779
0.001
0.364
2106
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.486
0.636
-81.780
0.001
0.364
2107
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.772
0.636
-81.792
0.001
0.364
2108
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.597
0.636
-81.779
0.001
0.364
2109
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.015
0.636
-81.779
0.001
0.364
2110
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.736
0.636
-81.791
0.001
0.364
2111
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.044
0.636
-81.785
0.001
0.364
2112
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.240
0.636
-81.780
0.001
0.364
2113
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.961
0.636
-81.776
0.001
0.364
2114
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.403
0.636
-81.779
0.001
0.364
2115
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.991
0.636
-81.791
0.001
0.364
2116
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.705
0.636
-81.789
0.001
0.364
2117
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.219
0.636
-81.778
0.001
0.364
2118
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.485
0.636
-81.788
0.001
0.364
2119
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.087
0.636
-81.776
0.001
0.364
2120
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.992
0.636
-81.791
0.001
0.364
2121
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.774
0.636
-81.792
0.001
0.364
2122
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.041
0.636
-81.789
0.000
0.364
2123
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.455
0.636
-81.793
0.001
0.364
2124
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2685.607
0.636
-81.790
0.001
0.364
2125
Au
14
Si
8
yangxb
0.000
59M
TTT
2982.212
2686.065
0.636
-81.779
0.001
0.364
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