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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 2151-2175 out of 2180
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Au_rate
Si_rate
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Username
✕
Maximum force
✕
Volume
✕
Calculator
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
E
✕
yangxb
0.007
1721.671
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.009
1721.882
vasp
0.000
60M
TTT
17285.869
0.237
yangxb
0.006
1721.904
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.007
1721.627
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.007
1722.046
vasp
0.000
60M
TTT
17285.869
0.237
yangxb
0.003
1721.545
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1721.455
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.005
1721.988
vasp
0.000
60M
TTT
17285.869
0.237
yangxb
0.005
1722.266
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.007
1721.661
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1721.817
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.009
1721.781
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.009
1721.511
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1722.128
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.007
3441.466
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.008
3442.059
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.005
3441.406
vasp
0.000
60M
TTT
17285.869
0.234
yangxb
0.007
3441.087
vasp
0.000
60M
TTT
17285.869
0.234
yangxb
0.010
3442.423
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.005
3441.220
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.004
3442.681
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.008
3442.024
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.009
3442.666
vasp
0.000
60M
TTT
17285.869
0.233
yangxb
0.007
3441.932
vasp
0.000
60M
TTT
17285.869
0.234
yangxb
0.006
3442.444
vasp
0.000
60M
TTT
17285.869
0.234
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