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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
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 351-375 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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)
Rows: 25
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ID
✕
Volume
✕
Maximum force
✕
Username
✕
351
8000.000
0.010
mse-gucc
352
8000.000
0.012
mse-gucc
353
8000.000
0.009
mse-gucc
354
8000.000
0.009
mse-gucc
355
8000.000
0.016
mse-gucc
356
8000.000
0.009
mse-gucc
357
8000.000
0.015
mse-gucc
358
8000.000
0.013
mse-gucc
359
8000.000
0.013
mse-gucc
360
8000.000
0.011
mse-gucc
361
8000.000
0.009
mse-gucc
362
8000.000
0.010
mse-gucc
363
8000.000
0.009
mse-gucc
364
8000.000
0.010
mse-gucc
365
8000.000
0.008
mse-gucc
366
8000.000
0.009
mse-gucc
367
8000.000
0.016
mse-gucc
368
8000.000
0.020
mse-gucc
369
8000.000
0.012
mse-gucc
370
8000.000
0.014
mse-gucc
371
8000.000
0.009
mse-gucc
372
8000.000
0.013
mse-gucc
373
8000.000
0.014
mse-gucc
374
8000.000
0.017
mse-gucc
375
8000.000
0.010
mse-gucc
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