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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 201-225 out of 517
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Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
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
50
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200
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ID
✕
Charge
✕
Mass
✕
201
0.000
17285.869
202
0.000
17285.869
203
0.000
17285.869
204
0.000
17285.869
205
0.000
17285.869
206
0.000
17285.869
207
0.000
17285.869
208
0.000
17285.869
209
0.000
17285.869
210
0.000
17285.869
211
0.000
17285.869
212
0.000
17285.869
213
0.000
17285.869
214
0.000
17285.869
215
0.000
17285.869
216
0.000
17285.869
217
0.000
17285.869
218
0.000
17285.869
219
0.000
17285.869
220
0.000
17285.869
221
0.000
17285.869
222
0.000
17285.869
223
0.000
17285.869
224
0.000
17285.869
225
0.000
17285.869
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