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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 1201-31 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)
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
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1201
Au
8
Si
4
-44.346
1202
Au
8
Si
4
-43.795
1203
Au
8
Si
4
-44.336
1204
Au
8
Si
4
-43.785
1205
Au
8
Si
4
-44.343
1206
Au
8
Si
4
-44.335
1207
Au
8
Si
4
-44.325
1208
Au
8
Si
4
-44.335
1209
Au
8
Si
4
-43.795
1210
Au
8
Si
4
-44.353
1211
Au
8
Si
4
-44.339
1212
Au
8
Si
4
-43.780
1213
Au
8
Si
4
-44.327
1214
Au
8
Si
4
-43.778
1215
Au
8
Si
4
-43.616
1216
Au
8
Si
4
-43.798
1217
Au
8
Si
4
-44.338
1218
Au
8
Si
4
-44.357
1219
Au
8
Si
4
-43.778
1220
Au
8
Si
4
-44.349
1221
Au
8
Si
4
-44.355
1222
Au
8
Si
4
-44.337
1223
Au
8
Si
4
-43.790
1224
Au
8
Si
4
-44.338
1225
Au
8
Si
4
-43.784
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