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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 1451-18 out of 18
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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)
Volume of unit cell (volume)
Rows: 25
10
25
50
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ID
✕
Formula
✕
Username
✕
1451
Au
8
Si
4
yangxb
1452
Au
8
Si
4
yangxb
1453
Au
8
Si
4
yangxb
1454
Au
8
Si
4
yangxb
1455
Au
8
Si
4
yangxb
1456
Au
8
Si
4
yangxb
1457
Au
8
Si
4
yangxb
1458
Au
8
Si
4
yangxb
1459
Au
8
Si
4
yangxb
1460
Au
8
Si
4
yangxb
1461
Au
8
Si
4
yangxb
1462
Au
8
Si
4
yangxb
1463
Au
8
Si
4
yangxb
1464
Au
8
Si
4
yangxb
1465
Au
8
Si
4
yangxb
1466
Au
8
Si
4
yangxb
1467
Au
8
Si
4
yangxb
1468
Au
8
Si
4
yangxb
1469
Au
8
Si
4
yangxb
1470
Au
8
Si
4
yangxb
1471
Au
8
Si
4
yangxb
1472
Au
8
Si
4
yangxb
1473
Au
8
Si
4
yangxb
1474
Au
8
Si
4
yangxb
1475
Au
8
Si
4
yangxb
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