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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 1026-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
1026
Au
8
Si
4
0.041
1027
Au
8
Si
4
0.019
1028
Au
8
Si
4
0.010
1029
Au
8
Si
4
0.012
1030
Au
8
Si
4
0.007
1031
Au
8
Si
4
0.007
1032
Au
8
Si
4
0.009
1033
Au
8
Si
4
0.004
1034
Au
8
Si
4
0.016
1035
Au
8
Si
4
0.010
1036
Au
8
Si
4
0.004
1037
Au
8
Si
4
0.010
1038
Au
8
Si
4
0.010
1039
Au
8
Si
4
0.009
1040
Au
8
Si
4
0.010
1041
Au
8
Si
4
0.005
1042
Au
8
Si
4
0.303
1043
Au
8
Si
4
0.008
1044
Au
8
Si
4
0.024
1045
Au
8
Si
4
0.007
1046
Au
8
Si
4
0.073
1047
Au
8
Si
4
0.009
1048
Au
8
Si
4
0.035
1049
Au
8
Si
4
0.008
1050
Au
8
Si
4
0.009
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