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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 1201-17 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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1201
Au
8
Si
4
1427.324
1202
Au
8
Si
4
1444.123
1203
Au
8
Si
4
1423.312
1204
Au
8
Si
4
1443.259
1205
Au
8
Si
4
1425.672
1206
Au
8
Si
4
1423.230
1207
Au
8
Si
4
1422.890
1208
Au
8
Si
4
1427.344
1209
Au
8
Si
4
1444.003
1210
Au
8
Si
4
1427.522
1211
Au
8
Si
4
1424.937
1212
Au
8
Si
4
1443.032
1213
Au
8
Si
4
1421.252
1214
Au
8
Si
4
1444.254
1215
Au
8
Si
4
1450.834
1216
Au
8
Si
4
1443.632
1217
Au
8
Si
4
1427.479
1218
Au
8
Si
4
1425.110
1219
Au
8
Si
4
1443.832
1220
Au
8
Si
4
1427.537
1221
Au
8
Si
4
1425.848
1222
Au
8
Si
4
1427.331
1223
Au
8
Si
4
1443.715
1224
Au
8
Si
4
1424.676
1225
Au
8
Si
4
1443.973
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