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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 1051-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
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ID
✕
Formula
✕
Username
✕
1051
Au
8
Si
4
yangxb
1052
Au
8
Si
4
yangxb
1053
Au
8
Si
4
yangxb
1054
Au
8
Si
4
yangxb
1055
Au
8
Si
4
yangxb
1056
Au
8
Si
4
yangxb
1057
Au
8
Si
4
yangxb
1058
Au
8
Si
4
yangxb
1059
Au
8
Si
4
yangxb
1060
Au
8
Si
4
yangxb
1061
Au
8
Si
4
yangxb
1062
Au
8
Si
4
yangxb
1063
Au
8
Si
4
yangxb
1064
Au
8
Si
4
yangxb
1065
Au
8
Si
4
yangxb
1066
Au
8
Si
4
yangxb
1067
Au
8
Si
4
yangxb
1068
Au
8
Si
4
yangxb
1069
Au
8
Si
4
yangxb
1070
Au
8
Si
4
yangxb
1071
Au
8
Si
4
yangxb
1072
Au
8
Si
4
yangxb
1073
Au
8
Si
4
yangxb
1074
Au
8
Si
4
yangxb
1075
Au
8
Si
4
yangxb
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