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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 226-250 out of 517
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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)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
226
Au
8
Si
4
0.023
227
Au
8
Si
4
0.031
228
Au
8
Si
4
0.007
229
Au
8
Si
4
0.008
230
Au
8
Si
4
0.009
231
Au
8
Si
4
0.009
232
Au
8
Si
4
0.016
233
Au
8
Si
4
0.012
234
Au
8
Si
4
0.006
235
Au
8
Si
4
0.009
236
Au
8
Si
4
0.011
237
Au
8
Si
4
0.005
238
Au
8
Si
4
0.020
239
Au
8
Si
4
0.023
240
Au
8
Si
4
0.024
241
Au
8
Si
4
0.061
242
Au
8
Si
4
0.025
243
Au
8
Si
4
0.010
244
Au
8
Si
4
0.004
245
Au
8
Si
4
0.005
246
Au
8
Si
4
0.019
247
Au
8
Si
4
0.007
248
Au
8
Si
4
0.084
249
Au
8
Si
4
0.021
250
Au
8
Si
4
0.010
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