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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 1276-17 out of 17
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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
✕
1276
Au
8
Si
4
0.001
1277
Au
8
Si
4
0.001
1278
Au
8
Si
4
0.001
1279
Au
8
Si
4
0.001
1280
Au
8
Si
4
0.001
1281
Au
8
Si
4
0.001
1282
Au
8
Si
4
0.001
1283
Au
8
Si
4
0.001
1284
Au
8
Si
4
0.001
1285
Au
8
Si
4
0.001
1286
Au
8
Si
4
0.001
1287
Au
8
Si
4
0.001
1288
Au
8
Si
4
0.001
1289
Au
8
Si
4
0.001
1290
Au
8
Si
4
0.001
1291
Au
8
Si
4
0.001
1292
Au
8
Si
4
0.001
1293
Au
8
Si
4
0.001
1294
Au
8
Si
4
0.001
1295
Au
8
Si
4
0.001
1296
Au
8
Si
4
0.001
1297
Au
8
Si
4
0.000
1298
Au
8
Si
4
0.001
1299
Au
8
Si
4
0.001
1300
Au
8
Si
4
0.001
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