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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 251-275 out of 517
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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)
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
100
200
↓
ID
✕
Formula
✕
Mass
✕
251
Au
8
Si
4
1688.073
252
Au
8
Si
4
1688.073
253
Au
8
Si
4
1688.073
254
Au
8
Si
4
1688.073
255
Au
8
Si
4
1688.073
256
Au
8
Si
4
1688.073
257
Au
8
Si
4
1688.073
258
Au
8
Si
4
1688.073
259
Au
8
Si
4
1688.073
260
Au
8
Si
4
1688.073
261
Au
8
Si
4
1688.073
262
Au
8
Si
4
1688.073
263
Au
8
Si
4
1688.073
264
Au
8
Si
4
1688.073
265
Au
8
Si
4
1688.073
266
Au
8
Si
4
1688.073
267
Au
8
Si
4
1688.073
268
Au
8
Si
4
1688.073
269
Au
8
Si
4
1688.073
270
Au
8
Si
4
1688.073
271
Au
8
Si
4
1688.073
272
Au
8
Si
4
1688.073
273
Au
8
Si
4
1688.073
274
Au
8
Si
4
1688.073
275
Au
8
Si
4
1688.073
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