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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)
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
✕
Energy
✕
101
Au
10
Si
6
-59.682
102
Au
10
Si
6
-59.674
103
Au
10
Si
6
-59.675
104
Au
10
Si
6
-59.682
105
Au
10
Si
6
-59.671
106
Au
10
Si
6
-59.681
107
Au
10
Si
6
-59.683
108
Au
10
Si
6
-59.675
109
Au
10
Si
6
-59.673
110
Au
10
Si
6
-59.679
111
Au
10
Si
6
-59.682
112
Au
10
Si
6
-59.682
113
Au
10
Si
6
-59.682
114
Au
10
Si
6
-59.683
115
Au
10
Si
6
-59.682
116
Au
10
Si
6
-59.681
117
Au
10
Si
6
-59.670
118
Au
10
Si
6
-59.681
119
Au
10
Si
6
-59.679
120
Au
10
Si
6
-59.681
121
Au
10
Si
6
-59.682
122
Au
10
Si
6
-59.682
123
Au
10
Si
6
-59.683
124
Au
10
Si
6
-59.681
125
Au
8
Si
4
-43.735
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