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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 1301-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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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200
↓
ID
✕
Formula
✕
Charge
✕
1301
Au
8
Si
4
0.000
1302
Au
8
Si
4
0.000
1303
Au
8
Si
4
0.000
1304
Au
8
Si
4
0.000
1305
Au
8
Si
4
0.000
1306
Au
8
Si
4
0.000
1307
Au
8
Si
4
0.000
1308
Au
8
Si
4
0.000
1309
Au
8
Si
4
0.000
1310
Au
8
Si
4
0.000
1311
Au
8
Si
4
0.000
1312
Au
8
Si
4
0.000
1313
Au
8
Si
4
0.000
1314
Au
8
Si
4
0.000
1315
Au
8
Si
4
0.000
1316
Au
8
Si
4
0.000
1317
Au
8
Si
4
0.000
1318
Au
8
Si
4
0.000
1319
Au
8
Si
4
0.000
1320
Au
8
Si
4
0.000
1321
Au
8
Si
4
0.000
1322
Au
8
Si
4
0.000
1323
Au
8
Si
4
0.000
1324
Au
8
Si
4
0.000
1325
Au
8
Si
4
0.000
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