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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)
ASE-calculator name (calculator)
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
↓
ID
✕
Formula
✕
101
Au
10
Si
6
102
Au
10
Si
6
103
Au
10
Si
6
104
Au
10
Si
6
105
Au
10
Si
6
106
Au
10
Si
6
107
Au
10
Si
6
108
Au
10
Si
6
109
Au
10
Si
6
110
Au
10
Si
6
111
Au
10
Si
6
112
Au
10
Si
6
113
Au
10
Si
6
114
Au
10
Si
6
115
Au
10
Si
6
116
Au
10
Si
6
117
Au
10
Si
6
118
Au
10
Si
6
119
Au
10
Si
6
120
Au
10
Si
6
121
Au
10
Si
6
122
Au
10
Si
6
123
Au
10
Si
6
124
Au
10
Si
6
125
Au
8
Si
4
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