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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 151-175 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
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200
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ID
✕
Volume
✕
151
3516.022
152
7709.117
153
3877.923
154
7245.350
155
3767.716
156
6727.703
157
8000.000
158
4070.328
159
4847.654
160
5986.117
161
7571.253
162
4359.209
163
7730.457
164
6845.934
165
7383.991
166
8000.000
167
7781.621
168
4336.826
169
7177.492
170
4233.520
171
8000.000
172
4552.968
173
6737.743
174
4776.966
175
8000.000
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