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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 51-75 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
0.006
1722.065
vasp
yangxb
0.004
1722.084
vasp
yangxb
0.003
1721.872
vasp
yangxb
0.009
1721.756
vasp
yangxb
0.010
1722.394
vasp
yangxb
0.006
1721.851
vasp
yangxb
0.008
1722.306
vasp
yangxb
0.007
1721.615
vasp
yangxb
0.005
1721.847
vasp
yangxb
0.004
1721.793
vasp
yangxb
0.007
1722.559
vasp
yangxb
0.006
1722.116
vasp
yangxb
0.007
1721.925
vasp
yangxb
0.007
1722.036
vasp
yangxb
0.010
1722.233
vasp
yangxb
0.007
1721.854
vasp
yangxb
0.008
1721.921
vasp
yangxb
0.009
1721.609
vasp
yangxb
0.003
1722.079
vasp
yangxb
0.007
1721.780
vasp
yangxb
0.006
1721.898
vasp
yangxb
0.007
1721.789
vasp
yangxb
0.007
1721.708
vasp
yangxb
0.007
1722.059
vasp
yangxb
0.010
1721.863
vasp
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