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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)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum force
✕
Username
✕
Maximum stress
✕
1
0.009
yangxb
0.001
2
0.005
yangxb
0.001
3
0.006
yangxb
0.000
4
0.009
yangxb
0.001
5
0.008
yangxb
0.001
6
0.009
yangxb
0.001
7
0.006
yangxb
0.000
8
0.004
yangxb
0.001
9
0.005
yangxb
0.001
10
0.008
yangxb
0.001
11
0.017
yangxb
0.001
12
0.006
yangxb
0.001
13
0.006
yangxb
0.001
14
0.008
yangxb
0.001
15
0.006
yangxb
0.001
16
0.009
yangxb
0.001
17
0.006
yangxb
0.001
18
0.003
yangxb
0.001
19
0.007
yangxb
0.001
20
0.009
yangxb
0.001
21
0.007
yangxb
0.001
22
0.004
yangxb
0.000
23
0.006
yangxb
0.001
24
0.010
yangxb
0.001
25
0.007
yangxb
0.000
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