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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
perms_number
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 101-125 out of 517
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Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
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200
Username
✕
Maximum force
✕
PBC
✕
Volume
✕
perms_number
✕
Charge
✕
Age
✕
Mass
✕
Maximum stress
✕
Calculator
✕
Energy
✕
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-658.572
hecc
0.217
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-659.930
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-659.408
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.032
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-663.900
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-659.740
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.526
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-663.731
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-659.571
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.176
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-663.860
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.935
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.507
hecc
0.007
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.792
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-665.293
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-664.095
hecc
0.008
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-659.322
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-660.832
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-660.287
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-656.668
hecc
0.010
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-660.216
hecc
0.008
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-661.874
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-662.844
hecc
0.007
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-660.312
hecc
0.009
TTT
8000.000
3
0.000
6y
17285.869
0.000
unknown
-660.034
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