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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 276-300 out of 414
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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Maximum force
✕
Mass
✕
Age
✕
276
C
60
H
18
0.000
0.009
738.804
53M
277
C
60
H
18
0.000
0.041
738.804
53M
278
C
60
H
18
0.000
0.008
738.804
53M
279
C
60
H
18
0.000
0.015
738.804
53M
280
C
60
H
18
0.000
0.014
738.804
53M
281
C
60
H
18
0.000
0.013
738.804
53M
282
C
60
H
18
0.000
0.012
738.804
53M
283
C
60
H
18
0.000
0.008
738.804
53M
284
C
60
H
18
0.000
0.012
738.804
53M
285
C
60
H
18
0.000
0.009
738.804
53M
286
C
60
H
18
0.000
0.009
738.804
53M
287
C
60
H
18
0.000
0.009
738.804
53M
288
C
60
H
18
0.000
0.007
738.804
53M
289
C
60
H
18
0.000
0.009
738.804
53M
290
C
60
H
18
0.000
0.011
738.804
53M
291
C
60
H
18
0.000
0.010
738.804
53M
292
C
60
H
18
0.000
0.010
738.804
53M
293
C
60
H
18
0.000
0.010
738.804
53M
294
C
60
H
18
0.000
0.028
738.804
53M
295
C
60
H
18
0.000
0.008
738.804
53M
296
C
60
H
18
0.000
0.010
738.804
53M
297
C
60
H
18
0.000
0.009
738.804
53M
298
C
60
H
18
0.000
0.020
738.804
53M
299
C
60
H
18
0.000
0.021
738.804
53M
300
C
60
H
18
0.000
0.013
738.804
53M
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