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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 951-18 out of 18
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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
✕
951
Au
8
Si
4
1444.306
952
Au
8
Si
4
1423.185
953
Au
8
Si
4
1443.740
954
Au
8
Si
4
1443.653
955
Au
8
Si
4
1425.128
956
Au
8
Si
4
1426.763
957
Au
8
Si
4
1423.089
958
Au
8
Si
4
1425.908
959
Au
8
Si
4
1427.474
960
Au
8
Si
4
1425.522
961
Au
8
Si
4
1443.669
962
Au
8
Si
4
1427.208
963
Au
8
Si
4
1444.104
964
Au
8
Si
4
1442.396
965
Au
8
Si
4
1426.943
966
Au
8
Si
4
1425.648
967
Au
8
Si
4
1419.943
968
Au
8
Si
4
1443.086
969
Au
8
Si
4
1443.664
970
Au
8
Si
4
1427.280
971
Au
8
Si
4
1446.216
972
Au
8
Si
4
1443.323
973
Au
8
Si
4
1425.085
974
Au
8
Si
4
1443.803
975
Au
8
Si
4
1449.068
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