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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
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 1-25 out of 31
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Time since creation (age)
ASE-calculator name (calculator)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
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200
Username
✕
Charge
✕
Energy
✕
Volume
✕
hecc
0.000
-446.943
1093.981
hecc
0.000
-446.919
1094.439
hecc
0.000
-446.964
1093.377
hecc
0.000
-446.887
1095.676
hecc
0.000
-446.930
1094.175
hecc
0.000
-446.907
1094.384
hecc
0.000
-446.952
1093.778
hecc
0.000
-446.914
1094.332
hecc
0.000
-446.951
1094.034
hecc
0.000
-446.933
1094.303
hecc
0.000
-446.888
1095.212
hecc
0.000
-446.981
1093.835
hecc
0.000
-446.913
1095.642
hecc
0.000
-446.940
1095.350
hecc
0.000
-446.984
1093.720
hecc
0.000
-447.053
1095.386
hecc
0.000
-447.012
1093.543
hecc
0.000
-447.070
1094.507
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