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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 251-8 out of 8
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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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
251
Au
8
Si
4
1438.399
252
Au
8
Si
4
1437.699
253
Au
8
Si
4
1438.370
254
Au
8
Si
4
1426.725
255
Au
8
Si
4
1424.927
256
Au
8
Si
4
1427.150
257
Au
8
Si
4
1423.099
258
Au
8
Si
4
1426.101
259
Au
8
Si
4
1426.991
260
Au
8
Si
4
1425.971
261
Au
8
Si
4
1426.518
262
Au
8
Si
4
1426.422
263
Au
8
Si
4
1426.025
264
Au
8
Si
4
1426.331
265
Au
8
Si
4
1425.995
266
Au
8
Si
4
1425.269
267
Au
8
Si
4
1438.283
268
Au
8
Si
4
1443.817
269
Au
8
Si
4
1438.169
270
Au
8
Si
4
1426.402
271
Au
8
Si
4
1443.654
272
Au
8
Si
4
1426.658
273
Au
8
Si
4
1437.822
274
Au
8
Si
4
1425.917
275
Au
8
Si
4
1427.229
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