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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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
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ID
✕
Formula
✕
Username
✕
1326
Au
8
Si
4
yangxb
1327
Au
8
Si
4
yangxb
1328
Au
8
Si
4
yangxb
1329
Au
8
Si
4
yangxb
1330
Au
8
Si
4
yangxb
1331
Au
8
Si
4
yangxb
1332
Au
8
Si
4
yangxb
1333
Au
8
Si
4
yangxb
1334
Au
8
Si
4
yangxb
1335
Au
8
Si
4
yangxb
1336
Au
8
Si
4
yangxb
1337
Au
8
Si
4
yangxb
1338
Au
8
Si
4
yangxb
1339
Au
8
Si
4
yangxb
1340
Au
8
Si
4
yangxb
1341
Au
8
Si
4
yangxb
1342
Au
8
Si
4
yangxb
1343
Au
8
Si
4
yangxb
1344
Au
8
Si
4
yangxb
1345
Au
8
Si
4
yangxb
1346
Au
8
Si
4
yangxb
1347
Au
8
Si
4
yangxb
1348
Au
8
Si
4
yangxb
1349
Au
8
Si
4
yangxb
1350
Au
8
Si
4
yangxb
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