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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
ASE-calculator name (calculator)
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
↓
ID
✕
Formula
✕
Age
✕
Username
✕
Maximum force
✕
26
Au
10
Si
4
43M
yangxb
0.008
27
Au
10
Si
4
43M
yangxb
0.006
28
Au
10
Si
4
43M
yangxb
0.005
29
Au
10
Si
4
43M
yangxb
0.009
30
Au
10
Si
4
43M
yangxb
0.004
31
Au
10
Si
4
43M
yangxb
0.005
32
Au
10
Si
4
43M
yangxb
0.007
33
Au
10
Si
4
43M
yangxb
0.003
34
Au
10
Si
4
43M
yangxb
0.003
35
Au
10
Si
4
43M
yangxb
0.010
36
Au
10
Si
4
43M
yangxb
0.006
37
Au
10
Si
4
43M
yangxb
0.010
38
Au
10
Si
4
43M
yangxb
0.008
39
Au
10
Si
4
43M
yangxb
0.008
40
Au
10
Si
4
43M
yangxb
0.004
41
Au
10
Si
4
43M
yangxb
0.006
42
Au
10
Si
4
43M
yangxb
0.009
43
Au
10
Si
4
43M
yangxb
0.005
44
Au
10
Si
4
43M
yangxb
0.005
45
Au
10
Si
4
43M
yangxb
0.006
46
Au
10
Si
4
43M
yangxb
0.004
47
Au
10
Si
4
43M
yangxb
0.006
48
Au
10
Si
4
43M
yangxb
0.004
49
Au
10
Si
4
43M
yangxb
0.005
50
Au
10
Si
4
43M
yangxb
0.005
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