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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)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
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
Username
✕
Maximum force
✕
Volume
✕
Calculator
✕
yangxb
0.009
1721.197
vasp
yangxb
0.005
1721.698
vasp
yangxb
0.006
1721.546
vasp
yangxb
0.009
1721.917
vasp
yangxb
0.008
1721.976
vasp
yangxb
0.009
1722.204
vasp
yangxb
0.006
1721.182
vasp
yangxb
0.004
1721.820
vasp
yangxb
0.005
1721.837
vasp
yangxb
0.008
1722.012
vasp
yangxb
0.017
1721.615
vasp
yangxb
0.006
1721.920
vasp
yangxb
0.006
1721.786
vasp
yangxb
0.008
1721.839
vasp
yangxb
0.006
1721.958
vasp
yangxb
0.009
1721.838
vasp
yangxb
0.006
1721.682
vasp
yangxb
0.003
1722.102
vasp
yangxb
0.007
1722.038
vasp
yangxb
0.009
1721.957
vasp
yangxb
0.007
1721.997
vasp
yangxb
0.004
1721.932
vasp
yangxb
0.006
1721.981
vasp
yangxb
0.010
1721.120
vasp
yangxb
0.007
1721.904
vasp
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