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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 2180
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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)
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
✕
Maximum force
✕
Username
✕
1
Au
10
Si
4
0.009
yangxb
2
Au
10
Si
4
0.005
yangxb
3
Au
10
Si
4
0.006
yangxb
4
Au
10
Si
4
0.009
yangxb
5
Au
10
Si
4
0.008
yangxb
6
Au
10
Si
4
0.009
yangxb
7
Au
10
Si
4
0.006
yangxb
8
Au
10
Si
4
0.004
yangxb
9
Au
10
Si
4
0.005
yangxb
10
Au
10
Si
4
0.008
yangxb
11
Au
10
Si
4
0.017
yangxb
12
Au
10
Si
4
0.006
yangxb
13
Au
10
Si
4
0.006
yangxb
14
Au
10
Si
4
0.008
yangxb
15
Au
10
Si
4
0.006
yangxb
16
Au
10
Si
4
0.009
yangxb
17
Au
10
Si
4
0.006
yangxb
18
Au
10
Si
4
0.003
yangxb
19
Au
10
Si
4
0.007
yangxb
20
Au
10
Si
4
0.009
yangxb
21
Au
10
Si
4
0.007
yangxb
22
Au
10
Si
4
0.004
yangxb
23
Au
10
Si
4
0.006
yangxb
24
Au
10
Si
4
0.010
yangxb
25
Au
10
Si
4
0.007
yangxb
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