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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 1301-31 out of 31
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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1301
Au
8
Si
4
0.001
1302
Au
8
Si
4
0.001
1303
Au
8
Si
4
0.001
1304
Au
8
Si
4
0.001
1305
Au
8
Si
4
0.001
1306
Au
8
Si
4
0.001
1307
Au
8
Si
4
0.001
1308
Au
8
Si
4
0.001
1309
Au
8
Si
4
0.001
1310
Au
8
Si
4
0.001
1311
Au
8
Si
4
0.001
1312
Au
8
Si
4
0.001
1313
Au
8
Si
4
0.001
1314
Au
8
Si
4
0.001
1315
Au
8
Si
4
0.001
1316
Au
8
Si
4
0.001
1317
Au
8
Si
4
0.001
1318
Au
8
Si
4
0.001
1319
Au
8
Si
4
0.001
1320
Au
8
Si
4
0.001
1321
Au
8
Si
4
0.001
1322
Au
8
Si
4
0.001
1323
Au
8
Si
4
0.001
1324
Au
8
Si
4
0.001
1325
Au
8
Si
4
0.001
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