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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 1001-17 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
✕
1001
Au
8
Si
4
1427.273
1002
Au
8
Si
4
1426.956
1003
Au
8
Si
4
1444.652
1004
Au
8
Si
4
1427.394
1005
Au
8
Si
4
1421.072
1006
Au
8
Si
4
1443.228
1007
Au
8
Si
4
1443.466
1008
Au
8
Si
4
1427.193
1009
Au
8
Si
4
1427.246
1010
Au
8
Si
4
1427.020
1011
Au
8
Si
4
1427.573
1012
Au
8
Si
4
1427.172
1013
Au
8
Si
4
1426.823
1014
Au
8
Si
4
1425.247
1015
Au
8
Si
4
1420.633
1016
Au
8
Si
4
1427.251
1017
Au
8
Si
4
1427.228
1018
Au
8
Si
4
1423.654
1019
Au
8
Si
4
1421.215
1020
Au
8
Si
4
1426.591
1021
Au
8
Si
4
1443.566
1022
Au
8
Si
4
1443.629
1023
Au
8
Si
4
1421.625
1024
Au
8
Si
4
1426.934
1025
Au
8
Si
4
1443.483
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