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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 776-414 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)
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
✕
776
Au
8
Si
4
1438.015
777
Au
8
Si
4
1438.361
778
Au
8
Si
4
1438.396
779
Au
8
Si
4
1437.870
780
Au
8
Si
4
1438.830
781
Au
8
Si
4
1438.165
782
Au
8
Si
4
1438.222
783
Au
8
Si
4
1438.025
784
Au
8
Si
4
1437.724
785
Au
8
Si
4
1437.906
786
Au
8
Si
4
1438.450
787
Au
8
Si
4
1437.967
788
Au
8
Si
4
1438.166
789
Au
8
Si
4
1438.340
790
Au
8
Si
4
1438.364
791
Au
8
Si
4
1438.241
792
Au
8
Si
4
1438.057
793
Au
8
Si
4
1438.620
794
Au
8
Si
4
1437.887
795
Au
8
Si
4
1438.513
796
Au
8
Si
4
1438.115
797
Au
8
Si
4
1438.799
798
Au
8
Si
4
1439.009
799
Au
8
Si
4
1438.019
800
Au
8
Si
4
1438.777
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