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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 2051-8 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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Username
✕
Mass
✕
Maximum stress
✕
2051
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2052
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2053
Au
10
Si
4
0.000
yangxb
2082.006
0.000
2054
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2055
Au
10
Si
4
0.000
yangxb
2082.006
0.000
2056
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2057
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2058
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2059
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2060
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2061
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2062
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2063
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2064
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2065
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2066
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2067
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2068
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2069
Au
10
Si
4
0.000
yangxb
2082.006
0.000
2070
Au
10
Si
4
0.000
yangxb
2082.006
0.001
2071
Au
16
Si
8
0.000
yangxb
3376.145
0.001
2072
Au
16
Si
8
0.000
yangxb
3376.145
0.001
2073
Au
16
Si
8
0.000
yangxb
3376.145
0.001
2074
Au
16
Si
8
0.000
yangxb
3376.145
0.001
2075
Au
16
Si
8
0.000
yangxb
3376.145
0.001
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