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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 1051-18 out of 18
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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1051
Au
8
Si
4
0.001
1052
Au
8
Si
4
0.001
1053
Au
8
Si
4
0.001
1054
Au
8
Si
4
0.001
1055
Au
8
Si
4
0.001
1056
Au
8
Si
4
0.001
1057
Au
8
Si
4
0.001
1058
Au
8
Si
4
0.001
1059
Au
8
Si
4
0.001
1060
Au
8
Si
4
0.001
1061
Au
8
Si
4
0.001
1062
Au
8
Si
4
0.001
1063
Au
8
Si
4
0.001
1064
Au
8
Si
4
0.001
1065
Au
8
Si
4
0.001
1066
Au
8
Si
4
0.001
1067
Au
8
Si
4
0.001
1068
Au
8
Si
4
0.001
1069
Au
8
Si
4
0.001
1070
Au
8
Si
4
0.001
1071
Au
8
Si
4
0.001
1072
Au
8
Si
4
0.001
1073
Au
8
Si
4
0.001
1074
Au
8
Si
4
0.001
1075
Au
8
Si
4
0.001
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