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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 51-75 out of 594
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Au_rate
E
Si_rate
Time since creation (age)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Calculator
✕
Mass
✕
Number of atoms
✕
Charge
✕
Username
✕
Volume
✕
51
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.065
52
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.084
53
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.872
54
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.756
55
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.394
56
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.851
57
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.306
58
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.615
59
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.847
60
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.793
61
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.559
62
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.116
63
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.925
64
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.036
65
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.233
66
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.854
67
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.921
68
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.609
69
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.079
70
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.780
71
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.898
72
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.789
73
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.708
74
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1722.059
75
Au
10
Si
4
vasp
2082.006
14
0.000
yangxb
1721.863
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