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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 176-200 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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Maximum stress
✕
Energy
✕
176
0.000
-617.646
177
0.000
-620.144
178
0.000
-620.340
179
0.000
-612.281
180
0.000
-618.975
181
0.000
-614.774
182
0.000
-617.757
183
0.000
-618.562
184
0.000
-617.548
185
0.000
-618.987
186
0.000
-614.046
187
0.000
-616.977
188
0.000
-617.548
189
0.000
-617.233
190
0.000
-621.918
191
0.000
-622.253
192
0.000
-617.157
193
0.000
-616.639
194
0.000
-619.408
195
0.000
-619.466
196
0.000
-618.410
197
0.000
-619.318
198
0.000
-618.162
199
0.000
-618.041
200
0.000
-610.290
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