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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 1326-414 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
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200
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ID
✕
Formula
✕
Maximum stress
✕
1326
Au
8
Si
4
0.001
1327
Au
8
Si
4
0.001
1328
Au
8
Si
4
0.001
1329
Au
8
Si
4
0.001
1330
Au
8
Si
4
0.000
1331
Au
8
Si
4
0.000
1332
Au
8
Si
4
0.001
1333
Au
8
Si
4
0.001
1334
Au
8
Si
4
0.001
1335
Au
8
Si
4
0.001
1336
Au
8
Si
4
0.001
1337
Au
8
Si
4
0.001
1338
Au
8
Si
4
0.001
1339
Au
8
Si
4
0.001
1340
Au
8
Si
4
0.001
1341
Au
8
Si
4
0.001
1342
Au
8
Si
4
0.001
1343
Au
8
Si
4
0.001
1344
Au
8
Si
4
0.001
1345
Au
8
Si
4
0.001
1346
Au
8
Si
4
0.001
1347
Au
8
Si
4
0.001
1348
Au
8
Si
4
0.001
1349
Au
8
Si
4
0.001
1350
Au
8
Si
4
0.001
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