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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 101-125 out of 2180
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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)
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
✕
Mass
✕
101
Au
10
Si
6
2138.176
102
Au
10
Si
6
2138.176
103
Au
10
Si
6
2138.176
104
Au
10
Si
6
2138.176
105
Au
10
Si
6
2138.176
106
Au
10
Si
6
2138.176
107
Au
10
Si
6
2138.176
108
Au
10
Si
6
2138.176
109
Au
10
Si
6
2138.176
110
Au
10
Si
6
2138.176
111
Au
10
Si
6
2138.176
112
Au
10
Si
6
2138.176
113
Au
10
Si
6
2138.176
114
Au
10
Si
6
2138.176
115
Au
10
Si
6
2138.176
116
Au
10
Si
6
2138.176
117
Au
10
Si
6
2138.176
118
Au
10
Si
6
2138.176
119
Au
10
Si
6
2138.176
120
Au
10
Si
6
2138.176
121
Au
10
Si
6
2138.176
122
Au
10
Si
6
2138.176
123
Au
10
Si
6
2138.176
124
Au
10
Si
6
2138.176
125
Au
8
Si
4
1688.073
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