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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 26-8 out of 8
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Au_rate
E
Si_rate
Net charge in unit cell (charge)
Total energy (energy)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Age
✕
Username
✕
Maximum force
✕
Calculator
✕
26
Au
10
Si
4
43M
yangxb
0.008
vasp
27
Au
10
Si
4
43M
yangxb
0.006
vasp
28
Au
10
Si
4
43M
yangxb
0.005
vasp
29
Au
10
Si
4
43M
yangxb
0.009
vasp
30
Au
10
Si
4
43M
yangxb
0.004
vasp
31
Au
10
Si
4
43M
yangxb
0.005
vasp
32
Au
10
Si
4
43M
yangxb
0.007
vasp
33
Au
10
Si
4
43M
yangxb
0.003
vasp
34
Au
10
Si
4
43M
yangxb
0.003
vasp
35
Au
10
Si
4
43M
yangxb
0.010
vasp
36
Au
10
Si
4
43M
yangxb
0.006
vasp
37
Au
10
Si
4
43M
yangxb
0.010
vasp
38
Au
10
Si
4
43M
yangxb
0.008
vasp
39
Au
10
Si
4
43M
yangxb
0.008
vasp
40
Au
10
Si
4
43M
yangxb
0.004
vasp
41
Au
10
Si
4
43M
yangxb
0.006
vasp
42
Au
10
Si
4
43M
yangxb
0.009
vasp
43
Au
10
Si
4
43M
yangxb
0.005
vasp
44
Au
10
Si
4
43M
yangxb
0.005
vasp
45
Au
10
Si
4
43M
yangxb
0.006
vasp
46
Au
10
Si
4
43M
yangxb
0.004
vasp
47
Au
10
Si
4
43M
yangxb
0.006
vasp
48
Au
10
Si
4
43M
yangxb
0.004
vasp
49
Au
10
Si
4
43M
yangxb
0.005
vasp
50
Au
10
Si
4
43M
yangxb
0.005
vasp
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