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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 1801-31 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
✕
1801
Au
10
Si
4
1721.966
1802
Au
10
Si
4
1722.412
1803
Au
10
Si
4
1722.151
1804
Au
10
Si
4
1721.990
1805
Au
10
Si
4
1721.793
1806
Au
10
Si
4
1722.309
1807
Au
10
Si
4
1721.739
1808
Au
10
Si
4
1722.278
1809
Au
10
Si
4
1721.985
1810
Au
10
Si
4
1722.207
1811
Au
10
Si
4
1722.234
1812
Au
10
Si
4
1722.159
1813
Au
10
Si
4
1722.024
1814
Au
10
Si
4
1721.535
1815
Au
10
Si
4
1722.354
1816
Au
10
Si
4
1722.036
1817
Au
10
Si
4
1722.075
1818
Au
10
Si
4
1722.321
1819
Au
10
Si
4
1721.850
1820
Au
10
Si
4
1722.167
1821
Au
10
Si
4
1721.727
1822
Au
10
Si
4
1722.299
1823
Au
10
Si
4
1721.796
1824
Au
10
Si
4
1722.052
1825
Au
10
Si
4
1722.332
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