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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 414
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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
✕
251
Au
8
Si
4
0.001
252
Au
8
Si
4
0.001
253
Au
8
Si
4
0.001
254
Au
8
Si
4
0.001
255
Au
8
Si
4
0.001
256
Au
8
Si
4
0.001
257
Au
8
Si
4
0.001
258
Au
8
Si
4
0.001
259
Au
8
Si
4
0.001
260
Au
8
Si
4
0.001
261
Au
8
Si
4
0.001
262
Au
8
Si
4
0.001
263
Au
8
Si
4
0.001
264
Au
8
Si
4
0.001
265
Au
8
Si
4
0.001
266
Au
8
Si
4
0.001
267
Au
8
Si
4
0.001
268
Au
8
Si
4
0.001
269
Au
8
Si
4
0.001
270
Au
8
Si
4
0.001
271
Au
8
Si
4
0.001
272
Au
8
Si
4
0.001
273
Au
8
Si
4
0.000
274
Au
8
Si
4
0.001
275
Au
8
Si
4
0.001
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