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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)
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
✕
Maximum force
✕
1051
Au
8
Si
4
0.037
1052
Au
8
Si
4
0.033
1053
Au
8
Si
4
0.005
1054
Au
8
Si
4
0.008
1055
Au
8
Si
4
0.009
1056
Au
8
Si
4
0.016
1057
Au
8
Si
4
0.010
1058
Au
8
Si
4
0.009
1059
Au
8
Si
4
0.020
1060
Au
8
Si
4
0.017
1061
Au
8
Si
4
0.010
1062
Au
8
Si
4
0.008
1063
Au
8
Si
4
0.007
1064
Au
8
Si
4
0.015
1065
Au
8
Si
4
0.006
1066
Au
8
Si
4
0.009
1067
Au
8
Si
4
0.010
1068
Au
8
Si
4
0.017
1069
Au
8
Si
4
0.006
1070
Au
8
Si
4
0.010
1071
Au
8
Si
4
0.009
1072
Au
8
Si
4
0.006
1073
Au
8
Si
4
0.027
1074
Au
8
Si
4
0.007
1075
Au
8
Si
4
0.031
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