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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 1076-8 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
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200
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ID
✕
Formula
✕
Calculator
✕
1076
Au
8
Si
4
vasp
1077
Au
8
Si
4
vasp
1078
Au
8
Si
4
vasp
1079
Au
8
Si
4
vasp
1080
Au
8
Si
4
vasp
1081
Au
8
Si
4
vasp
1082
Au
8
Si
4
vasp
1083
Au
8
Si
4
vasp
1084
Au
8
Si
4
vasp
1085
Au
8
Si
4
vasp
1086
Au
8
Si
4
vasp
1087
Au
8
Si
4
vasp
1088
Au
8
Si
4
vasp
1089
Au
8
Si
4
vasp
1090
Au
8
Si
4
vasp
1091
Au
8
Si
4
vasp
1092
Au
8
Si
4
vasp
1093
Au
8
Si
4
vasp
1094
Au
8
Si
4
vasp
1095
Au
8
Si
4
vasp
1096
Au
8
Si
4
vasp
1097
Au
8
Si
4
vasp
1098
Au
8
Si
4
vasp
1099
Au
8
Si
4
vasp
1100
Au
8
Si
4
vasp
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