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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 594
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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Username
✕
176
C
60
H
18
53M
mse-gucc
177
C
60
H
18
53M
mse-gucc
178
C
60
H
18
53M
mse-gucc
179
C
60
H
18
53M
mse-gucc
180
C
60
H
18
53M
mse-gucc
181
C
60
H
18
53M
mse-gucc
182
C
60
H
18
53M
mse-gucc
183
C
60
H
18
53M
mse-gucc
184
C
60
H
18
53M
mse-gucc
185
C
60
H
18
53M
mse-gucc
186
C
60
H
18
53M
mse-gucc
187
C
60
H
18
53M
mse-gucc
188
C
60
H
18
53M
mse-gucc
189
C
60
H
18
53M
mse-gucc
190
C
60
H
18
53M
mse-gucc
191
C
60
H
18
53M
mse-gucc
192
C
60
H
18
53M
mse-gucc
193
C
60
H
18
53M
mse-gucc
194
C
60
H
18
53M
mse-gucc
195
C
60
H
18
53M
mse-gucc
196
C
60
H
18
53M
mse-gucc
197
C
60
H
18
53M
mse-gucc
198
C
60
H
18
53M
mse-gucc
199
C
60
H
18
53M
mse-gucc
200
C
60
H
18
53M
mse-gucc
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