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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 1-25 out of 594
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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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Username
✕
1
Au
10
Si
4
1721.197
yangxb
2
Au
10
Si
4
1721.698
yangxb
3
Au
10
Si
4
1721.546
yangxb
4
Au
10
Si
4
1721.917
yangxb
5
Au
10
Si
4
1721.976
yangxb
6
Au
10
Si
4
1722.204
yangxb
7
Au
10
Si
4
1721.182
yangxb
8
Au
10
Si
4
1721.820
yangxb
9
Au
10
Si
4
1721.837
yangxb
10
Au
10
Si
4
1722.012
yangxb
11
Au
10
Si
4
1721.615
yangxb
12
Au
10
Si
4
1721.920
yangxb
13
Au
10
Si
4
1721.786
yangxb
14
Au
10
Si
4
1721.839
yangxb
15
Au
10
Si
4
1721.958
yangxb
16
Au
10
Si
4
1721.838
yangxb
17
Au
10
Si
4
1721.682
yangxb
18
Au
10
Si
4
1722.102
yangxb
19
Au
10
Si
4
1722.038
yangxb
20
Au
10
Si
4
1721.957
yangxb
21
Au
10
Si
4
1721.997
yangxb
22
Au
10
Si
4
1721.932
yangxb
23
Au
10
Si
4
1721.981
yangxb
24
Au
10
Si
4
1721.120
yangxb
25
Au
10
Si
4
1721.904
yangxb
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