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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 1301-594 out of 594
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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)
Volume of unit cell (volume)
Rows: 25
10
25
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ID
✕
Formula
✕
Username
✕
1301
Au
8
Si
4
yangxb
1302
Au
8
Si
4
yangxb
1303
Au
8
Si
4
yangxb
1304
Au
8
Si
4
yangxb
1305
Au
8
Si
4
yangxb
1306
Au
8
Si
4
yangxb
1307
Au
8
Si
4
yangxb
1308
Au
8
Si
4
yangxb
1309
Au
8
Si
4
yangxb
1310
Au
8
Si
4
yangxb
1311
Au
8
Si
4
yangxb
1312
Au
8
Si
4
yangxb
1313
Au
8
Si
4
yangxb
1314
Au
8
Si
4
yangxb
1315
Au
8
Si
4
yangxb
1316
Au
8
Si
4
yangxb
1317
Au
8
Si
4
yangxb
1318
Au
8
Si
4
yangxb
1319
Au
8
Si
4
yangxb
1320
Au
8
Si
4
yangxb
1321
Au
8
Si
4
yangxb
1322
Au
8
Si
4
yangxb
1323
Au
8
Si
4
yangxb
1324
Au
8
Si
4
yangxb
1325
Au
8
Si
4
yangxb
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