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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 1951-8 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)
Number of atoms (natoms)
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
✕
Username
✕
Mass
✕
1951
Au
16
Si
8
0.000
yangxb
3376.145
1952
Au
16
Si
8
0.000
yangxb
3376.145
1953
Au
14
Si
8
0.000
yangxb
2982.212
1954
Au
16
Si
8
0.000
yangxb
3376.145
1955
Au
16
Si
8
0.000
yangxb
3376.145
1956
Au
16
Si
8
0.000
yangxb
3376.145
1957
Au
16
Si
8
0.000
yangxb
3376.145
1958
Au
16
Si
8
0.000
yangxb
3376.145
1959
Au
16
Si
8
0.000
yangxb
3376.145
1960
Au
16
Si
8
0.000
yangxb
3376.145
1961
Au
16
Si
8
0.000
yangxb
3376.145
1962
Au
16
Si
8
0.000
yangxb
3376.145
1963
Au
16
Si
8
0.000
yangxb
3376.145
1964
Au
16
Si
8
0.000
yangxb
3376.145
1965
Au
16
Si
8
0.000
yangxb
3376.145
1966
Au
16
Si
8
0.000
yangxb
3376.145
1967
Au
16
Si
8
0.000
yangxb
3376.145
1968
Au
16
Si
8
0.000
yangxb
3376.145
1969
Au
16
Si
8
0.000
yangxb
3376.145
1970
Au
16
Si
8
0.000
yangxb
3376.145
1971
Au
16
Si
8
0.000
yangxb
3376.145
1972
Au
16
Si
8
0.000
yangxb
3376.145
1973
Au
16
Si
8
0.000
yangxb
3376.145
1974
Au
16
Si
8
0.000
yangxb
3376.145
1975
Au
16
Si
8
0.000
yangxb
3376.145
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