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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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Time since creation (age)
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
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ID
✕
Mass
✕
Energy
✕
101
17285.869
-597.097
102
17285.869
-590.967
103
17285.869
-595.597
104
17285.869
-592.900
105
17285.869
-589.547
106
17285.869
-589.673
107
17285.869
-592.796
108
17285.869
-590.711
109
17285.869
-592.437
110
17285.869
-592.253
111
17285.869
-592.325
112
17285.869
-593.631
113
17285.869
-593.119
114
17285.869
-595.165
115
17285.869
-587.053
116
17285.869
-593.900
117
17285.869
-594.583
118
17285.869
-598.422
119
17285.869
-595.745
120
17285.869
-587.543
121
17285.869
-592.692
122
17285.869
-597.235
123
17285.869
-583.021
124
17285.869
-592.369
125
17285.869
-594.254
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