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SAGAR
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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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ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Age
✕
Username
✕
PBC
✕
Charge
✕
351
17285.869
53M
mse-gucc
TTT
0.000
352
17285.869
53M
mse-gucc
TTT
0.000
353
17285.869
53M
mse-gucc
TTT
0.000
354
17285.869
53M
mse-gucc
TTT
0.000
355
17285.869
53M
mse-gucc
TTT
0.000
356
17285.869
53M
mse-gucc
TTT
0.000
357
17285.869
53M
mse-gucc
TTT
0.000
358
17285.869
53M
mse-gucc
TTT
0.000
359
17285.869
53M
mse-gucc
TTT
0.000
360
17285.869
53M
mse-gucc
TTT
0.000
361
17285.869
53M
mse-gucc
TTT
0.000
362
17285.869
53M
mse-gucc
TTT
0.000
363
17285.869
53M
mse-gucc
TTT
0.000
364
17285.869
53M
mse-gucc
TTT
0.000
365
17285.869
53M
mse-gucc
TTT
0.000
366
17285.869
53M
mse-gucc
TTT
0.000
367
17285.869
53M
mse-gucc
TTT
0.000
368
17285.869
53M
mse-gucc
TTT
0.000
369
17285.869
53M
mse-gucc
TTT
0.000
370
17285.869
53M
mse-gucc
TTT
0.000
371
17285.869
53M
mse-gucc
TTT
0.000
372
17285.869
53M
mse-gucc
TTT
0.000
373
17285.869
53M
mse-gucc
TTT
0.000
374
17285.869
53M
mse-gucc
TTT
0.000
375
17285.869
53M
mse-gucc
TTT
0.000
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