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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 451-127 out of 127
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Time since creation (age)
ASE-calculator name (calculator)
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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451
mse-gucc
452
mse-gucc
453
mse-gucc
454
mse-gucc
455
mse-gucc
456
mse-gucc
457
mse-gucc
458
mse-gucc
459
mse-gucc
460
mse-gucc
461
mse-gucc
462
mse-gucc
463
mse-gucc
464
mse-gucc
465
mse-gucc
466
mse-gucc
467
mse-gucc
468
mse-gucc
469
mse-gucc
470
mse-gucc
471
mse-gucc
472
mse-gucc
473
mse-gucc
474
mse-gucc
475
mse-gucc
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