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ASE database
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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 201-31 out of 31
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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
50
100
200
↓
ID
✕
Formula
✕
Username
✕
201
Au
8
Si
4
yangxb
202
Au
8
Si
4
yangxb
203
Au
8
Si
4
yangxb
204
Au
8
Si
4
yangxb
205
Au
8
Si
4
yangxb
206
Au
8
Si
4
yangxb
207
Au
8
Si
4
yangxb
208
Au
8
Si
4
yangxb
209
Au
8
Si
4
yangxb
210
Au
8
Si
4
yangxb
211
Au
8
Si
4
yangxb
212
Au
8
Si
4
yangxb
213
Au
8
Si
4
yangxb
214
Au
8
Si
4
yangxb
215
Au
8
Si
4
yangxb
216
Au
8
Si
4
yangxb
217
Au
8
Si
4
yangxb
218
Au
8
Si
4
yangxb
219
Au
8
Si
4
yangxb
220
Au
8
Si
4
yangxb
221
Au
8
Si
4
yangxb
222
Au
8
Si
4
yangxb
223
Au
8
Si
4
yangxb
224
Au
8
Si
4
yangxb
225
Au
8
Si
4
yangxb
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