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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)
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
10
25
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ID
✕
Formula
✕
1276
Au
8
Si
4
1277
Au
8
Si
4
1278
Au
8
Si
4
1279
Au
8
Si
4
1280
Au
8
Si
4
1281
Au
8
Si
4
1282
Au
8
Si
4
1283
Au
8
Si
4
1284
Au
8
Si
4
1285
Au
8
Si
4
1286
Au
8
Si
4
1287
Au
8
Si
4
1288
Au
8
Si
4
1289
Au
8
Si
4
1290
Au
8
Si
4
1291
Au
8
Si
4
1292
Au
8
Si
4
1293
Au
8
Si
4
1294
Au
8
Si
4
1295
Au
8
Si
4
1296
Au
8
Si
4
1297
Au
8
Si
4
1298
Au
8
Si
4
1299
Au
8
Si
4
1300
Au
8
Si
4
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