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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 1226-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Formula
✕
Charge
✕
1226
Au
8
Si
4
0.000
1227
Au
8
Si
4
0.000
1228
Au
8
Si
4
0.000
1229
Au
8
Si
4
0.000
1230
Au
8
Si
4
0.000
1231
Au
8
Si
4
0.000
1232
Au
8
Si
4
0.000
1233
Au
8
Si
4
0.000
1234
Au
8
Si
4
0.000
1235
Au
8
Si
4
0.000
1236
Au
8
Si
4
0.000
1237
Au
8
Si
4
0.000
1238
Au
8
Si
4
0.000
1239
Au
8
Si
4
0.000
1240
Au
8
Si
4
0.000
1241
Au
8
Si
4
0.000
1242
Au
8
Si
4
0.000
1243
Au
8
Si
4
0.000
1244
Au
8
Si
4
0.000
1245
Au
8
Si
4
0.000
1246
Au
8
Si
4
0.000
1247
Au
8
Si
4
0.000
1248
Au
8
Si
4
0.000
1249
Au
8
Si
4
0.000
1250
Au
8
Si
4
0.000
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