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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 126-150 out of 414
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Time since creation (age)
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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ID
✕
Volume
✕
Calculator
✕
126
4318.091
vasp
127
6644.899
vasp
128
4390.299
vasp
129
3693.199
vasp
130
3589.963
vasp
131
4199.204
vasp
132
3932.583
vasp
133
8000.000
vasp
134
5678.330
vasp
135
6807.479
vasp
136
4300.008
vasp
137
5083.044
vasp
138
8000.000
vasp
139
8000.000
vasp
140
5003.219
vasp
141
8000.000
vasp
142
5189.686
vasp
143
4728.098
vasp
144
6352.521
vasp
145
5131.039
vasp
146
3865.164
vasp
147
5691.049
vasp
148
5399.219
vasp
149
8000.000
vasp
150
5236.911
vasp
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