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ASE database
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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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E
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
✕
Au_rate
✕
Age
✕
Si_rate
✕
Number of atoms
✕
Mass
✕
Charge
✕
101
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
102
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
103
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
104
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
105
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
106
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
107
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
108
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
109
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
110
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
111
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
112
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
113
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
114
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
115
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
116
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
117
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
118
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
119
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
120
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
121
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
122
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
123
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
124
Au
10
Si
6
0.625
43M
0.375
16
2138.176
0.000
125
Au
8
Si
4
0.667
43M
0.333
12
1688.073
0.000
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