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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
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
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
✕
Number of atoms
✕
Charge
✕
Si_rate
✕
101
Au
10
Si
6
16
0.000
0.375
102
Au
10
Si
6
16
0.000
0.375
103
Au
10
Si
6
16
0.000
0.375
104
Au
10
Si
6
16
0.000
0.375
105
Au
10
Si
6
16
0.000
0.375
106
Au
10
Si
6
16
0.000
0.375
107
Au
10
Si
6
16
0.000
0.375
108
Au
10
Si
6
16
0.000
0.375
109
Au
10
Si
6
16
0.000
0.375
110
Au
10
Si
6
16
0.000
0.375
111
Au
10
Si
6
16
0.000
0.375
112
Au
10
Si
6
16
0.000
0.375
113
Au
10
Si
6
16
0.000
0.375
114
Au
10
Si
6
16
0.000
0.375
115
Au
10
Si
6
16
0.000
0.375
116
Au
10
Si
6
16
0.000
0.375
117
Au
10
Si
6
16
0.000
0.375
118
Au
10
Si
6
16
0.000
0.375
119
Au
10
Si
6
16
0.000
0.375
120
Au
10
Si
6
16
0.000
0.375
121
Au
10
Si
6
16
0.000
0.375
122
Au
10
Si
6
16
0.000
0.375
123
Au
10
Si
6
16
0.000
0.375
124
Au
10
Si
6
16
0.000
0.375
125
Au
8
Si
4
12
0.000
0.333
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