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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 2076-8 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)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Number of atoms
✕
Energy
✕
Username
✕
2076
Au
16
Si
8
24
-87.948
yangxb
2077
Au
16
Si
8
24
-87.951
yangxb
2078
Au
16
Si
8
24
-87.952
yangxb
2079
Au
16
Si
8
24
-87.944
yangxb
2080
Au
16
Si
8
24
-87.947
yangxb
2081
Au
20
Si
8
28
-100.094
yangxb
2082
Au
14
Si
8
22
-81.789
yangxb
2083
Au
14
Si
8
22
-81.780
yangxb
2084
Au
14
Si
8
22
-81.779
yangxb
2085
Au
14
Si
8
22
-81.785
yangxb
2086
Au
14
Si
8
22
-81.792
yangxb
2087
Au
14
Si
8
22
-81.780
yangxb
2088
Au
14
Si
8
22
-81.789
yangxb
2089
Au
14
Si
8
22
-81.788
yangxb
2090
Au
14
Si
8
22
-81.793
yangxb
2091
Au
14
Si
8
22
-81.790
yangxb
2092
Au
14
Si
8
22
-81.792
yangxb
2093
Au
14
Si
8
22
-81.789
yangxb
2094
Au
14
Si
8
22
-81.792
yangxb
2095
Au
14
Si
8
22
-81.788
yangxb
2096
Au
14
Si
8
22
-81.793
yangxb
2097
Au
14
Si
8
22
-81.791
yangxb
2098
Au
14
Si
8
22
-81.790
yangxb
2099
Au
14
Si
8
22
-81.778
yangxb
2100
Au
14
Si
8
22
-81.779
yangxb
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