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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 26-50 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
0.008
1721.431
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1721.907
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.005
1721.764
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.009
1721.743
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.004
1721.783
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.005
1721.196
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.007
1721.686
vasp
0.000
60M
TTT
17285.869
0.235
yangxb
0.003
1721.952
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.003
1722.454
vasp
0.000
60M
TTT
17285.869
0.237
yangxb
0.010
1722.269
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1722.023
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.010
1721.960
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.008
1721.867
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.008
1721.952
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.004
1721.748
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1721.747
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.009
1722.174
vasp
0.000
60M
TTT
17285.869
0.235
yangxb
0.005
1721.793
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.005
1722.066
vasp
0.000
60M
TTT
17285.869
0.237
yangxb
0.006
1721.811
vasp
0.000
60M
TTT
17285.869
0.235
yangxb
0.004
1721.955
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.006
1721.958
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.004
1721.958
vasp
0.000
60M
TTT
17285.869
0.235
yangxb
0.005
1721.802
vasp
0.000
60M
TTT
17285.869
0.236
yangxb
0.005
1721.991
vasp
0.000
60M
TTT
17285.869
0.236
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