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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
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 376-400 out of 414
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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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376
mse-gucc
vasp
377
mse-gucc
vasp
378
mse-gucc
vasp
379
mse-gucc
vasp
380
mse-gucc
vasp
381
mse-gucc
vasp
382
mse-gucc
vasp
383
mse-gucc
vasp
384
mse-gucc
vasp
385
mse-gucc
vasp
386
mse-gucc
vasp
387
mse-gucc
vasp
388
mse-gucc
vasp
389
mse-gucc
vasp
390
mse-gucc
vasp
391
mse-gucc
vasp
392
mse-gucc
vasp
393
mse-gucc
vasp
394
mse-gucc
vasp
395
mse-gucc
vasp
396
mse-gucc
vasp
397
mse-gucc
vasp
398
mse-gucc
vasp
399
mse-gucc
vasp
400
mse-gucc
vasp
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