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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 1251-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
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
50
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200
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ID
✕
Formula
✕
Calculator
✕
1251
Au
8
Si
4
vasp
1252
Au
8
Si
4
vasp
1253
Au
8
Si
4
vasp
1254
Au
8
Si
4
vasp
1255
Au
8
Si
4
vasp
1256
Au
8
Si
4
vasp
1257
Au
8
Si
4
vasp
1258
Au
8
Si
4
vasp
1259
Au
8
Si
4
vasp
1260
Au
8
Si
4
vasp
1261
Au
8
Si
4
vasp
1262
Au
8
Si
4
vasp
1263
Au
8
Si
4
vasp
1264
Au
8
Si
4
vasp
1265
Au
8
Si
4
vasp
1266
Au
8
Si
4
vasp
1267
Au
8
Si
4
vasp
1268
Au
8
Si
4
vasp
1269
Au
8
Si
4
vasp
1270
Au
8
Si
4
vasp
1271
Au
8
Si
4
vasp
1272
Au
8
Si
4
vasp
1273
Au
8
Si
4
vasp
1274
Au
8
Si
4
vasp
1275
Au
8
Si
4
vasp
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