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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 1351-17 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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1351
Au
8
Si
4
1443.893
1352
Au
8
Si
4
1422.736
1353
Au
8
Si
4
1427.362
1354
Au
8
Si
4
1426.823
1355
Au
8
Si
4
1443.949
1356
Au
8
Si
4
1443.958
1357
Au
8
Si
4
1443.595
1358
Au
8
Si
4
1426.329
1359
Au
8
Si
4
1426.678
1360
Au
8
Si
4
1444.153
1361
Au
8
Si
4
1443.704
1362
Au
8
Si
4
1443.578
1363
Au
8
Si
4
1443.708
1364
Au
8
Si
4
1423.741
1365
Au
8
Si
4
1426.474
1366
Au
8
Si
4
1443.861
1367
Au
8
Si
4
1447.295
1368
Au
8
Si
4
1427.171
1369
Au
8
Si
4
1422.363
1370
Au
8
Si
4
1443.223
1371
Au
8
Si
4
1427.244
1372
Au
8
Si
4
1427.174
1373
Au
8
Si
4
1426.767
1374
Au
8
Si
4
1442.968
1375
Au
8
Si
4
1443.856
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