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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
perms_number
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 126-31 out of 31
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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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Maximum stress
✕
Mass
✕
126
0.000
17285.869
127
0.000
17285.869
128
0.000
17285.869
129
0.000
17285.869
130
0.000
17285.869
131
0.000
17285.869
132
0.000
17285.869
133
0.000
17285.869
134
0.000
17285.869
135
0.000
17285.869
136
0.000
17285.869
137
0.000
17285.869
138
0.000
17285.869
139
0.000
17285.869
140
0.000
17285.869
141
0.000
17285.869
142
0.000
17285.869
143
0.000
17285.869
144
0.000
17285.869
145
0.000
17285.869
146
0.000
17285.869
147
0.000
17285.869
148
0.000
17285.869
149
0.000
17285.869
150
0.000
17285.869
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