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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 1226-31 out of 31
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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
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1226
Au
8
Si
4
0.001
1227
Au
8
Si
4
0.001
1228
Au
8
Si
4
0.000
1229
Au
8
Si
4
0.001
1230
Au
8
Si
4
0.001
1231
Au
8
Si
4
0.001
1232
Au
8
Si
4
0.001
1233
Au
8
Si
4
0.001
1234
Au
8
Si
4
0.001
1235
Au
8
Si
4
0.001
1236
Au
8
Si
4
0.001
1237
Au
8
Si
4
0.001
1238
Au
8
Si
4
0.001
1239
Au
8
Si
4
0.001
1240
Au
8
Si
4
0.001
1241
Au
8
Si
4
0.001
1242
Au
8
Si
4
0.001
1243
Au
8
Si
4
0.001
1244
Au
8
Si
4
0.001
1245
Au
8
Si
4
0.001
1246
Au
8
Si
4
0.001
1247
Au
8
Si
4
0.002
1248
Au
8
Si
4
0.001
1249
Au
8
Si
4
0.001
1250
Au
8
Si
4
0.001
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