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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 951-17 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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200
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ID
✕
Formula
✕
Username
✕
951
Au
8
Si
4
yangxb
952
Au
8
Si
4
yangxb
953
Au
8
Si
4
yangxb
954
Au
8
Si
4
yangxb
955
Au
8
Si
4
yangxb
956
Au
8
Si
4
yangxb
957
Au
8
Si
4
yangxb
958
Au
8
Si
4
yangxb
959
Au
8
Si
4
yangxb
960
Au
8
Si
4
yangxb
961
Au
8
Si
4
yangxb
962
Au
8
Si
4
yangxb
963
Au
8
Si
4
yangxb
964
Au
8
Si
4
yangxb
965
Au
8
Si
4
yangxb
966
Au
8
Si
4
yangxb
967
Au
8
Si
4
yangxb
968
Au
8
Si
4
yangxb
969
Au
8
Si
4
yangxb
970
Au
8
Si
4
yangxb
971
Au
8
Si
4
yangxb
972
Au
8
Si
4
yangxb
973
Au
8
Si
4
yangxb
974
Au
8
Si
4
yangxb
975
Au
8
Si
4
yangxb
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