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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 51-75 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Username
✕
Maximum stress
✕
51
mse-gucc
0.005
52
mse-gucc
0.001
53
mse-gucc
0.002
54
mse-gucc
0.000
55
mse-gucc
0.000
56
mse-gucc
0.002
57
mse-gucc
0.001
58
mse-gucc
0.009
59
mse-gucc
0.000
60
mse-gucc
0.000
61
mse-gucc
0.001
62
mse-gucc
0.000
63
mse-gucc
0.000
64
mse-gucc
0.000
65
mse-gucc
0.011
66
mse-gucc
0.000
67
mse-gucc
0.000
68
mse-gucc
0.000
69
mse-gucc
0.000
70
mse-gucc
0.001
71
mse-gucc
0.001
72
mse-gucc
0.002
73
mse-gucc
0.001
74
mse-gucc
0.000
75
mse-gucc
0.002
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