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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 976-31 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)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
976
Au
8
Si
4
1423.834
977
Au
8
Si
4
1444.065
978
Au
8
Si
4
1443.836
979
Au
8
Si
4
1427.308
980
Au
8
Si
4
1426.896
981
Au
8
Si
4
1445.082
982
Au
8
Si
4
1423.200
983
Au
8
Si
4
1423.751
984
Au
8
Si
4
1427.153
985
Au
8
Si
4
1427.379
986
Au
8
Si
4
1427.080
987
Au
8
Si
4
1427.237
988
Au
8
Si
4
1427.189
989
Au
8
Si
4
1443.305
990
Au
8
Si
4
1426.388
991
Au
8
Si
4
1425.782
992
Au
8
Si
4
1427.170
993
Au
8
Si
4
1426.214
994
Au
8
Si
4
1422.538
995
Au
8
Si
4
1464.784
996
Au
8
Si
4
1443.906
997
Au
8
Si
4
1443.930
998
Au
8
Si
4
1423.296
999
Au
8
Si
4
1427.180
1000
Au
8
Si
4
1443.700
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