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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 1276-8 out of 8
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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
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
1276
Au
8
Si
4
1688.073
1277
Au
8
Si
4
1688.073
1278
Au
8
Si
4
1688.073
1279
Au
8
Si
4
1688.073
1280
Au
8
Si
4
1688.073
1281
Au
8
Si
4
1688.073
1282
Au
8
Si
4
1688.073
1283
Au
8
Si
4
1688.073
1284
Au
8
Si
4
1688.073
1285
Au
8
Si
4
1688.073
1286
Au
8
Si
4
1688.073
1287
Au
8
Si
4
1688.073
1288
Au
8
Si
4
1688.073
1289
Au
8
Si
4
1688.073
1290
Au
8
Si
4
1688.073
1291
Au
8
Si
4
1688.073
1292
Au
8
Si
4
1688.073
1293
Au
8
Si
4
1688.073
1294
Au
8
Si
4
1688.073
1295
Au
8
Si
4
1688.073
1296
Au
8
Si
4
1688.073
1297
Au
8
Si
4
1688.073
1298
Au
8
Si
4
1688.073
1299
Au
8
Si
4
1688.073
1300
Au
8
Si
4
1688.073
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