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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)
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
10
25
50
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200
↓
ID
✕
Volume
✕
Maximum force
✕
Username
✕
Energy
✕
351
8000.000
0.010
mse-gucc
-584.608
352
8000.000
0.012
mse-gucc
-585.291
353
8000.000
0.009
mse-gucc
-595.336
354
8000.000
0.009
mse-gucc
-592.997
355
8000.000
0.016
mse-gucc
-592.332
356
8000.000
0.009
mse-gucc
-592.643
357
8000.000
0.015
mse-gucc
-591.695
358
8000.000
0.013
mse-gucc
-591.313
359
8000.000
0.013
mse-gucc
-591.722
360
8000.000
0.011
mse-gucc
-596.061
361
8000.000
0.009
mse-gucc
-595.935
362
8000.000
0.010
mse-gucc
-594.487
363
8000.000
0.009
mse-gucc
-592.310
364
8000.000
0.010
mse-gucc
-595.446
365
8000.000
0.008
mse-gucc
-592.614
366
8000.000
0.009
mse-gucc
-596.785
367
8000.000
0.016
mse-gucc
-590.950
368
8000.000
0.020
mse-gucc
-594.910
369
8000.000
0.012
mse-gucc
-592.296
370
8000.000
0.014
mse-gucc
-589.547
371
8000.000
0.009
mse-gucc
-589.423
372
8000.000
0.013
mse-gucc
-592.674
373
8000.000
0.014
mse-gucc
-590.476
374
8000.000
0.017
mse-gucc
-592.437
375
8000.000
0.010
mse-gucc
-592.253
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