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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)
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
10
25
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200
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ID
✕
Maximum force
✕
Volume
✕
151
1.465
3516.022
152
0.080
7709.117
153
1.199
3877.923
154
0.187
7245.350
155
0.400
3767.716
156
0.792
6727.703
157
0.009
8000.000
158
1.356
4070.328
159
0.335
4847.654
160
0.727
5986.117
161
0.054
7571.253
162
0.878
4359.209
163
0.044
7730.457
164
0.421
6845.934
165
0.209
7383.991
166
0.008
8000.000
167
0.067
7781.621
168
0.364
4336.826
169
0.204
7177.492
170
0.320
4233.520
171
0.009
8000.000
172
1.113
4552.968
173
0.533
6737.743
174
0.586
4776.966
175
0.007
8000.000
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