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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 1601-8 out of 8
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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
✕
1601
Au
8
Si
4
1443.122
1602
Au
8
Si
4
1443.148
1603
Au
8
Si
4
1427.182
1604
Au
8
Si
4
1427.153
1605
Au
8
Si
4
1426.395
1606
Au
8
Si
4
1427.273
1607
Au
8
Si
4
1443.646
1608
Au
8
Si
4
1425.558
1609
Au
8
Si
4
1425.809
1610
Au
8
Si
4
1426.805
1611
Au
8
Si
4
1424.550
1612
Au
8
Si
4
1424.509
1613
Au
8
Si
4
1426.951
1614
Au
8
Si
4
1427.460
1615
Au
8
Si
4
1427.148
1616
Au
8
Si
4
1424.604
1617
Au
8
Si
4
1427.045
1618
Au
8
Si
4
1427.177
1619
Au
8
Si
4
1426.937
1620
Au
8
Si
4
1443.737
1621
Au
8
Si
4
1427.400
1622
Au
8
Si
4
1422.742
1623
Au
8
Si
4
1421.863
1624
Au
16
Si
8
2887.774
1625
Au
16
Si
8
2888.175
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