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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 1051-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1051
Au
8
Si
4
-43.790
1052
Au
8
Si
4
-43.771
1053
Au
8
Si
4
-43.801
1054
Au
8
Si
4
-44.366
1055
Au
8
Si
4
-44.338
1056
Au
8
Si
4
-44.331
1057
Au
8
Si
4
-43.795
1058
Au
8
Si
4
-43.786
1059
Au
8
Si
4
-43.782
1060
Au
8
Si
4
-44.353
1061
Au
8
Si
4
-44.347
1062
Au
8
Si
4
-44.342
1063
Au
8
Si
4
-43.779
1064
Au
8
Si
4
-44.353
1065
Au
8
Si
4
-44.344
1066
Au
8
Si
4
-44.344
1067
Au
8
Si
4
-44.332
1068
Au
8
Si
4
-44.350
1069
Au
8
Si
4
-44.347
1070
Au
8
Si
4
-43.781
1071
Au
8
Si
4
-43.800
1072
Au
8
Si
4
-44.344
1073
Au
8
Si
4
-43.789
1074
Au
8
Si
4
-44.340
1075
Au
8
Si
4
-43.791
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