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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 101-125 out of 414
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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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100
200
↓
ID
✕
Mass
✕
Energy
✕
Age
✕
101
17285.869
-597.097
53M
102
17285.869
-590.967
53M
103
17285.869
-595.597
53M
104
17285.869
-592.900
53M
105
17285.869
-589.547
53M
106
17285.869
-589.673
53M
107
17285.869
-592.796
53M
108
17285.869
-590.711
53M
109
17285.869
-592.437
53M
110
17285.869
-592.253
53M
111
17285.869
-592.325
53M
112
17285.869
-593.631
53M
113
17285.869
-593.119
53M
114
17285.869
-595.165
53M
115
17285.869
-587.053
53M
116
17285.869
-593.900
53M
117
17285.869
-594.583
53M
118
17285.869
-598.422
53M
119
17285.869
-595.745
53M
120
17285.869
-587.543
53M
121
17285.869
-592.692
53M
122
17285.869
-597.235
53M
123
17285.869
-583.021
53M
124
17285.869
-592.369
53M
125
17285.869
-594.254
53M
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