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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 1326-17 out of 17
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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
✕
1326
Au
8
Si
4
vasp
1327
Au
8
Si
4
vasp
1328
Au
8
Si
4
vasp
1329
Au
8
Si
4
vasp
1330
Au
8
Si
4
vasp
1331
Au
8
Si
4
vasp
1332
Au
8
Si
4
vasp
1333
Au
8
Si
4
vasp
1334
Au
8
Si
4
vasp
1335
Au
8
Si
4
vasp
1336
Au
8
Si
4
vasp
1337
Au
8
Si
4
vasp
1338
Au
8
Si
4
vasp
1339
Au
8
Si
4
vasp
1340
Au
8
Si
4
vasp
1341
Au
8
Si
4
vasp
1342
Au
8
Si
4
vasp
1343
Au
8
Si
4
vasp
1344
Au
8
Si
4
vasp
1345
Au
8
Si
4
vasp
1346
Au
8
Si
4
vasp
1347
Au
8
Si
4
vasp
1348
Au
8
Si
4
vasp
1349
Au
8
Si
4
vasp
1350
Au
8
Si
4
vasp
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