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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 1101-31 out of 31
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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
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200
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ID
✕
Formula
✕
Calculator
✕
1101
Au
8
Si
4
vasp
1102
Au
8
Si
4
vasp
1103
Au
8
Si
4
vasp
1104
Au
8
Si
4
vasp
1105
Au
8
Si
4
vasp
1106
Au
8
Si
4
vasp
1107
Au
8
Si
4
vasp
1108
Au
8
Si
4
vasp
1109
Au
8
Si
4
vasp
1110
Au
8
Si
4
vasp
1111
Au
8
Si
4
vasp
1112
Au
8
Si
4
vasp
1113
Au
8
Si
4
vasp
1114
Au
8
Si
4
vasp
1115
Au
8
Si
4
vasp
1116
Au
8
Si
4
vasp
1117
Au
8
Si
4
vasp
1118
Au
8
Si
4
vasp
1119
Au
8
Si
4
vasp
1120
Au
8
Si
4
vasp
1121
Au
8
Si
4
vasp
1122
Au
8
Si
4
vasp
1123
Au
8
Si
4
vasp
1124
Au
8
Si
4
vasp
1125
Au
8
Si
4
vasp
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