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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)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum force
✕
Username
✕
1
1721.197
0.009
yangxb
2
1721.698
0.005
yangxb
3
1721.546
0.006
yangxb
4
1721.917
0.009
yangxb
5
1721.976
0.008
yangxb
6
1722.204
0.009
yangxb
7
1721.182
0.006
yangxb
8
1721.820
0.004
yangxb
9
1721.837
0.005
yangxb
10
1722.012
0.008
yangxb
11
1721.615
0.017
yangxb
12
1721.920
0.006
yangxb
13
1721.786
0.006
yangxb
14
1721.839
0.008
yangxb
15
1721.958
0.006
yangxb
16
1721.838
0.009
yangxb
17
1721.682
0.006
yangxb
18
1722.102
0.003
yangxb
19
1722.038
0.007
yangxb
20
1721.957
0.009
yangxb
21
1721.997
0.007
yangxb
22
1721.932
0.004
yangxb
23
1721.981
0.006
yangxb
24
1721.120
0.010
yangxb
25
1721.904
0.007
yangxb
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