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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)
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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1051
Au
8
Si
4
1444.177
1052
Au
8
Si
4
1444.147
1053
Au
8
Si
4
1443.593
1054
Au
8
Si
4
1426.765
1055
Au
8
Si
4
1427.170
1056
Au
8
Si
4
1422.131
1057
Au
8
Si
4
1443.416
1058
Au
8
Si
4
1443.878
1059
Au
8
Si
4
1444.416
1060
Au
8
Si
4
1426.491
1061
Au
8
Si
4
1427.184
1062
Au
8
Si
4
1427.339
1063
Au
8
Si
4
1443.772
1064
Au
8
Si
4
1426.364
1065
Au
8
Si
4
1425.561
1066
Au
8
Si
4
1426.789
1067
Au
8
Si
4
1427.730
1068
Au
8
Si
4
1427.499
1069
Au
8
Si
4
1425.526
1070
Au
8
Si
4
1444.111
1071
Au
8
Si
4
1444.117
1072
Au
8
Si
4
1426.907
1073
Au
8
Si
4
1444.301
1074
Au
8
Si
4
1427.612
1075
Au
8
Si
4
1442.055
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