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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 2076-2100 out of 2180
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Au_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Si_rate
✕
PBC
✕
Mass
✕
Username
✕
Age
✕
Energy
✕
Number of atoms
✕
E
✕
2076
Au
16
Si
8
2882.194
0.333
TTT
3376.145
yangxb
43M
-87.948
24
0.276
2077
Au
16
Si
8
2881.071
0.333
TTT
3376.145
yangxb
43M
-87.951
24
0.275
2078
Au
16
Si
8
2881.308
0.333
TTT
3376.145
yangxb
43M
-87.952
24
0.275
2079
Au
16
Si
8
2881.416
0.333
TTT
3376.145
yangxb
43M
-87.944
24
0.276
2080
Au
16
Si
8
2881.773
0.333
TTT
3376.145
yangxb
43M
-87.947
24
0.276
2081
Au
20
Si
8
3432.010
0.286
TTT
4164.011
yangxb
43M
-100.094
28
0.259
2082
Au
14
Si
8
2685.183
0.364
TTT
2982.212
yangxb
43M
-81.789
22
0.290
2083
Au
14
Si
8
2685.964
0.364
TTT
2982.212
yangxb
43M
-81.780
22
0.290
2084
Au
14
Si
8
2686.070
0.364
TTT
2982.212
yangxb
43M
-81.779
22
0.290
2085
Au
14
Si
8
2685.423
0.364
TTT
2982.212
yangxb
43M
-81.785
22
0.290
2086
Au
14
Si
8
2685.573
0.364
TTT
2982.212
yangxb
43M
-81.792
22
0.290
2087
Au
14
Si
8
2685.791
0.364
TTT
2982.212
yangxb
43M
-81.780
22
0.290
2088
Au
14
Si
8
2685.439
0.364
TTT
2982.212
yangxb
43M
-81.789
22
0.290
2089
Au
14
Si
8
2686.151
0.364
TTT
2982.212
yangxb
43M
-81.788
22
0.290
2090
Au
14
Si
8
2685.126
0.364
TTT
2982.212
yangxb
43M
-81.793
22
0.290
2091
Au
14
Si
8
2686.055
0.364
TTT
2982.212
yangxb
43M
-81.790
22
0.290
2092
Au
14
Si
8
2685.088
0.364
TTT
2982.212
yangxb
43M
-81.792
22
0.290
2093
Au
14
Si
8
2685.667
0.364
TTT
2982.212
yangxb
43M
-81.789
22
0.290
2094
Au
14
Si
8
2685.345
0.364
TTT
2982.212
yangxb
43M
-81.792
22
0.290
2095
Au
14
Si
8
2685.976
0.364
TTT
2982.212
yangxb
43M
-81.788
22
0.290
2096
Au
14
Si
8
2685.414
0.364
TTT
2982.212
yangxb
43M
-81.793
22
0.290
2097
Au
14
Si
8
2685.541
0.364
TTT
2982.212
yangxb
43M
-81.791
22
0.290
2098
Au
14
Si
8
2685.714
0.364
TTT
2982.212
yangxb
43M
-81.790
22
0.290
2099
Au
14
Si
8
2685.968
0.364
TTT
2982.212
yangxb
43M
-81.778
22
0.290
2100
Au
14
Si
8
2685.897
0.364
TTT
2982.212
yangxb
43M
-81.779
22
0.290
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