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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 101-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Calculator
✕
101
Au
10
Si
6
vasp
102
Au
10
Si
6
vasp
103
Au
10
Si
6
vasp
104
Au
10
Si
6
vasp
105
Au
10
Si
6
vasp
106
Au
10
Si
6
vasp
107
Au
10
Si
6
vasp
108
Au
10
Si
6
vasp
109
Au
10
Si
6
vasp
110
Au
10
Si
6
vasp
111
Au
10
Si
6
vasp
112
Au
10
Si
6
vasp
113
Au
10
Si
6
vasp
114
Au
10
Si
6
vasp
115
Au
10
Si
6
vasp
116
Au
10
Si
6
vasp
117
Au
10
Si
6
vasp
118
Au
10
Si
6
vasp
119
Au
10
Si
6
vasp
120
Au
10
Si
6
vasp
121
Au
10
Si
6
vasp
122
Au
10
Si
6
vasp
123
Au
10
Si
6
vasp
124
Au
10
Si
6
vasp
125
Au
8
Si
4
vasp
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