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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 1151-17 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
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ID
✕
Formula
✕
Volume
✕
1151
Au
8
Si
4
1442.283
1152
Au
8
Si
4
1443.810
1153
Au
8
Si
4
1427.606
1154
Au
8
Si
4
1427.175
1155
Au
8
Si
4
1427.395
1156
Au
8
Si
4
1427.360
1157
Au
8
Si
4
1443.913
1158
Au
8
Si
4
1426.965
1159
Au
8
Si
4
1419.842
1160
Au
8
Si
4
1427.104
1161
Au
8
Si
4
1425.551
1162
Au
8
Si
4
1427.177
1163
Au
8
Si
4
1443.565
1164
Au
8
Si
4
1427.343
1165
Au
8
Si
4
1426.942
1166
Au
8
Si
4
1424.687
1167
Au
8
Si
4
1443.872
1168
Au
8
Si
4
1443.395
1169
Au
8
Si
4
1423.021
1170
Au
8
Si
4
1443.118
1171
Au
8
Si
4
1447.900
1172
Au
8
Si
4
1426.814
1173
Au
8
Si
4
1426.695
1174
Au
8
Si
4
1442.921
1175
Au
8
Si
4
1426.942
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