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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 1301-517 out of 517
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Au_rate
E
Si_rate
Time since creation (age)
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)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Calculator
✕
1301
Au
8
Si
4
vasp
1302
Au
8
Si
4
vasp
1303
Au
8
Si
4
vasp
1304
Au
8
Si
4
vasp
1305
Au
8
Si
4
vasp
1306
Au
8
Si
4
vasp
1307
Au
8
Si
4
vasp
1308
Au
8
Si
4
vasp
1309
Au
8
Si
4
vasp
1310
Au
8
Si
4
vasp
1311
Au
8
Si
4
vasp
1312
Au
8
Si
4
vasp
1313
Au
8
Si
4
vasp
1314
Au
8
Si
4
vasp
1315
Au
8
Si
4
vasp
1316
Au
8
Si
4
vasp
1317
Au
8
Si
4
vasp
1318
Au
8
Si
4
vasp
1319
Au
8
Si
4
vasp
1320
Au
8
Si
4
vasp
1321
Au
8
Si
4
vasp
1322
Au
8
Si
4
vasp
1323
Au
8
Si
4
vasp
1324
Au
8
Si
4
vasp
1325
Au
8
Si
4
vasp
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