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MATLAB-code
ASE database
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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
perms_num
perms_number
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 326-350 out of 517
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Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
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Username
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Calculator
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326
mse-gucc
vasp
327
mse-gucc
vasp
328
mse-gucc
vasp
329
mse-gucc
vasp
330
mse-gucc
vasp
331
mse-gucc
vasp
332
mse-gucc
vasp
333
mse-gucc
vasp
334
mse-gucc
vasp
335
mse-gucc
vasp
336
mse-gucc
vasp
337
mse-gucc
vasp
338
mse-gucc
vasp
339
mse-gucc
vasp
340
mse-gucc
vasp
341
mse-gucc
vasp
342
mse-gucc
vasp
343
mse-gucc
vasp
344
mse-gucc
vasp
345
mse-gucc
vasp
346
mse-gucc
vasp
347
mse-gucc
vasp
348
mse-gucc
vasp
349
mse-gucc
vasp
350
mse-gucc
vasp
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