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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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Number of atoms
✕
Mass
✕
Username
✕
101
Au
10
Si
6
0.000
16
2138.176
yangxb
102
Au
10
Si
6
0.000
16
2138.176
yangxb
103
Au
10
Si
6
0.000
16
2138.176
yangxb
104
Au
10
Si
6
0.000
16
2138.176
yangxb
105
Au
10
Si
6
0.000
16
2138.176
yangxb
106
Au
10
Si
6
0.000
16
2138.176
yangxb
107
Au
10
Si
6
0.000
16
2138.176
yangxb
108
Au
10
Si
6
0.000
16
2138.176
yangxb
109
Au
10
Si
6
0.000
16
2138.176
yangxb
110
Au
10
Si
6
0.000
16
2138.176
yangxb
111
Au
10
Si
6
0.000
16
2138.176
yangxb
112
Au
10
Si
6
0.000
16
2138.176
yangxb
113
Au
10
Si
6
0.000
16
2138.176
yangxb
114
Au
10
Si
6
0.000
16
2138.176
yangxb
115
Au
10
Si
6
0.000
16
2138.176
yangxb
116
Au
10
Si
6
0.000
16
2138.176
yangxb
117
Au
10
Si
6
0.000
16
2138.176
yangxb
118
Au
10
Si
6
0.000
16
2138.176
yangxb
119
Au
10
Si
6
0.000
16
2138.176
yangxb
120
Au
10
Si
6
0.000
16
2138.176
yangxb
121
Au
10
Si
6
0.000
16
2138.176
yangxb
122
Au
10
Si
6
0.000
16
2138.176
yangxb
123
Au
10
Si
6
0.000
16
2138.176
yangxb
124
Au
10
Si
6
0.000
16
2138.176
yangxb
125
Au
8
Si
4
0.000
12
1688.073
yangxb
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