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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 1301-17 out of 17
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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)
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
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200
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ID
✕
Formula
✕
Mass
✕
1301
Au
8
Si
4
1688.073
1302
Au
8
Si
4
1688.073
1303
Au
8
Si
4
1688.073
1304
Au
8
Si
4
1688.073
1305
Au
8
Si
4
1688.073
1306
Au
8
Si
4
1688.073
1307
Au
8
Si
4
1688.073
1308
Au
8
Si
4
1688.073
1309
Au
8
Si
4
1688.073
1310
Au
8
Si
4
1688.073
1311
Au
8
Si
4
1688.073
1312
Au
8
Si
4
1688.073
1313
Au
8
Si
4
1688.073
1314
Au
8
Si
4
1688.073
1315
Au
8
Si
4
1688.073
1316
Au
8
Si
4
1688.073
1317
Au
8
Si
4
1688.073
1318
Au
8
Si
4
1688.073
1319
Au
8
Si
4
1688.073
1320
Au
8
Si
4
1688.073
1321
Au
8
Si
4
1688.073
1322
Au
8
Si
4
1688.073
1323
Au
8
Si
4
1688.073
1324
Au
8
Si
4
1688.073
1325
Au
8
Si
4
1688.073
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