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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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Formula
✕
Maximum force
✕
1276
Au
8
Si
4
0.007
1277
Au
8
Si
4
0.005
1278
Au
8
Si
4
0.012
1279
Au
8
Si
4
0.017
1280
Au
8
Si
4
0.020
1281
Au
8
Si
4
0.014
1282
Au
8
Si
4
0.008
1283
Au
8
Si
4
0.011
1284
Au
8
Si
4
0.022
1285
Au
8
Si
4
0.030
1286
Au
8
Si
4
0.010
1287
Au
8
Si
4
0.007
1288
Au
8
Si
4
0.010
1289
Au
8
Si
4
0.010
1290
Au
8
Si
4
0.018
1291
Au
8
Si
4
0.008
1292
Au
8
Si
4
0.008
1293
Au
8
Si
4
0.041
1294
Au
8
Si
4
0.010
1295
Au
8
Si
4
0.010
1296
Au
8
Si
4
0.233
1297
Au
8
Si
4
0.008
1298
Au
8
Si
4
0.007
1299
Au
8
Si
4
0.011
1300
Au
8
Si
4
0.010
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