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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 1526-17 out of 17
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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
✕
1526
Au
8
Si
4
1426.627
1527
Au
8
Si
4
1427.197
1528
Au
8
Si
4
1443.508
1529
Au
8
Si
4
1443.318
1530
Au
8
Si
4
1444.020
1531
Au
8
Si
4
1425.853
1532
Au
8
Si
4
1426.706
1533
Au
8
Si
4
1427.445
1534
Au
8
Si
4
1441.068
1535
Au
8
Si
4
1444.701
1536
Au
8
Si
4
1443.602
1537
Au
8
Si
4
1444.618
1538
Au
8
Si
4
1444.476
1539
Au
8
Si
4
1443.997
1540
Au
8
Si
4
1443.259
1541
Au
8
Si
4
1443.662
1542
Au
8
Si
4
1444.329
1543
Au
8
Si
4
1442.464
1544
Au
8
Si
4
1424.974
1545
Au
8
Si
4
1443.922
1546
Au
8
Si
4
1442.802
1547
Au
8
Si
4
1443.948
1548
Au
8
Si
4
1443.383
1549
Au
8
Si
4
1444.344
1550
Au
8
Si
4
1443.479
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