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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 1126-31 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
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ID
✕
Formula
✕
Calculator
✕
1126
Au
8
Si
4
vasp
1127
Au
8
Si
4
vasp
1128
Au
8
Si
4
vasp
1129
Au
8
Si
4
vasp
1130
Au
8
Si
4
vasp
1131
Au
8
Si
4
vasp
1132
Au
8
Si
4
vasp
1133
Au
8
Si
4
vasp
1134
Au
8
Si
4
vasp
1135
Au
8
Si
4
vasp
1136
Au
8
Si
4
vasp
1137
Au
8
Si
4
vasp
1138
Au
8
Si
4
vasp
1139
Au
8
Si
4
vasp
1140
Au
8
Si
4
vasp
1141
Au
8
Si
4
vasp
1142
Au
8
Si
4
vasp
1143
Au
8
Si
4
vasp
1144
Au
8
Si
4
vasp
1145
Au
8
Si
4
vasp
1146
Au
8
Si
4
vasp
1147
Au
8
Si
4
vasp
1148
Au
8
Si
4
vasp
1149
Au
8
Si
4
vasp
1150
Au
8
Si
4
vasp
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