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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 1001-414 out of 414
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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
✕
1001
Au
8
Si
4
-44.351
1002
Au
8
Si
4
-44.343
1003
Au
8
Si
4
-43.789
1004
Au
8
Si
4
-44.349
1005
Au
8
Si
4
-44.322
1006
Au
8
Si
4
-43.798
1007
Au
8
Si
4
-43.784
1008
Au
8
Si
4
-44.353
1009
Au
8
Si
4
-44.356
1010
Au
8
Si
4
-44.358
1011
Au
8
Si
4
-44.347
1012
Au
8
Si
4
-44.341
1013
Au
8
Si
4
-44.339
1014
Au
8
Si
4
-44.328
1015
Au
8
Si
4
-44.325
1016
Au
8
Si
4
-44.343
1017
Au
8
Si
4
-44.344
1018
Au
8
Si
4
-44.344
1019
Au
8
Si
4
-44.331
1020
Au
8
Si
4
-44.351
1021
Au
8
Si
4
-43.779
1022
Au
8
Si
4
-43.798
1023
Au
8
Si
4
-44.326
1024
Au
8
Si
4
-44.349
1025
Au
8
Si
4
-43.782
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