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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 1026-594 out of 594
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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)
Maximum force (fmax)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1026
Au
8
Si
4
1426.239
1027
Au
8
Si
4
1426.627
1028
Au
8
Si
4
1444.059
1029
Au
8
Si
4
1422.517
1030
Au
8
Si
4
1443.812
1031
Au
8
Si
4
1426.982
1032
Au
8
Si
4
1426.553
1033
Au
8
Si
4
1443.253
1034
Au
8
Si
4
1427.562
1035
Au
8
Si
4
1443.603
1036
Au
8
Si
4
1427.512
1037
Au
8
Si
4
1443.222
1038
Au
8
Si
4
1427.571
1039
Au
8
Si
4
1426.943
1040
Au
8
Si
4
1443.623
1041
Au
8
Si
4
1426.753
1042
Au
8
Si
4
1449.894
1043
Au
8
Si
4
1427.189
1044
Au
8
Si
4
1425.849
1045
Au
8
Si
4
1426.527
1046
Au
8
Si
4
1424.034
1047
Au
8
Si
4
1427.042
1048
Au
8
Si
4
1421.304
1049
Au
8
Si
4
1426.958
1050
Au
8
Si
4
1443.661
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