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Au_rate
E
Si_rate
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
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 176-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
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)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
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ID
✕
Formula
✕
Username
✕
176
Au
8
Si
4
yangxb
177
Au
8
Si
4
yangxb
178
Au
8
Si
4
yangxb
179
Au
8
Si
4
yangxb
180
Au
8
Si
4
yangxb
181
Au
8
Si
4
yangxb
182
Au
8
Si
4
yangxb
183
Au
8
Si
4
yangxb
184
Au
8
Si
4
yangxb
185
Au
8
Si
4
yangxb
186
Au
8
Si
4
yangxb
187
Au
8
Si
4
yangxb
188
Au
8
Si
4
yangxb
189
Au
8
Si
4
yangxb
190
Au
8
Si
4
yangxb
191
Au
8
Si
4
yangxb
192
Au
8
Si
4
yangxb
193
Au
8
Si
4
yangxb
194
Au
8
Si
4
yangxb
195
Au
8
Si
4
yangxb
196
Au
8
Si
4
yangxb
197
Au
8
Si
4
yangxb
198
Au
8
Si
4
yangxb
199
Au
8
Si
4
yangxb
200
Au
8
Si
4
yangxb
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