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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
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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200
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ID
✕
Formula
✕
Age
✕
Username
✕
176
Au
8
Si
4
43M
yangxb
177
Au
8
Si
4
43M
yangxb
178
Au
8
Si
4
43M
yangxb
179
Au
8
Si
4
43M
yangxb
180
Au
8
Si
4
43M
yangxb
181
Au
8
Si
4
43M
yangxb
182
Au
8
Si
4
43M
yangxb
183
Au
8
Si
4
43M
yangxb
184
Au
8
Si
4
43M
yangxb
185
Au
8
Si
4
43M
yangxb
186
Au
8
Si
4
43M
yangxb
187
Au
8
Si
4
43M
yangxb
188
Au
8
Si
4
43M
yangxb
189
Au
8
Si
4
43M
yangxb
190
Au
8
Si
4
43M
yangxb
191
Au
8
Si
4
43M
yangxb
192
Au
8
Si
4
43M
yangxb
193
Au
8
Si
4
43M
yangxb
194
Au
8
Si
4
43M
yangxb
195
Au
8
Si
4
43M
yangxb
196
Au
8
Si
4
43M
yangxb
197
Au
8
Si
4
43M
yangxb
198
Au
8
Si
4
43M
yangxb
199
Au
8
Si
4
43M
yangxb
200
Au
8
Si
4
43M
yangxb
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