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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 1251-17 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)
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
✕
Mass
✕
1251
Au
8
Si
4
1688.073
1252
Au
8
Si
4
1688.073
1253
Au
8
Si
4
1688.073
1254
Au
8
Si
4
1688.073
1255
Au
8
Si
4
1688.073
1256
Au
8
Si
4
1688.073
1257
Au
8
Si
4
1688.073
1258
Au
8
Si
4
1688.073
1259
Au
8
Si
4
1688.073
1260
Au
8
Si
4
1688.073
1261
Au
8
Si
4
1688.073
1262
Au
8
Si
4
1688.073
1263
Au
8
Si
4
1688.073
1264
Au
8
Si
4
1688.073
1265
Au
8
Si
4
1688.073
1266
Au
8
Si
4
1688.073
1267
Au
8
Si
4
1688.073
1268
Au
8
Si
4
1688.073
1269
Au
8
Si
4
1688.073
1270
Au
8
Si
4
1688.073
1271
Au
8
Si
4
1688.073
1272
Au
8
Si
4
1688.073
1273
Au
8
Si
4
1688.073
1274
Au
8
Si
4
1688.073
1275
Au
8
Si
4
1688.073
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