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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 1326-127 out of 127
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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
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200
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ID
✕
Formula
✕
Maximum force
✕
1326
Au
8
Si
4
0.014
1327
Au
8
Si
4
0.066
1328
Au
8
Si
4
0.007
1329
Au
8
Si
4
0.009
1330
Au
8
Si
4
0.009
1331
Au
8
Si
4
0.007
1332
Au
8
Si
4
0.014
1333
Au
8
Si
4
0.009
1334
Au
8
Si
4
0.029
1335
Au
8
Si
4
0.006
1336
Au
8
Si
4
0.038
1337
Au
8
Si
4
0.008
1338
Au
8
Si
4
0.010
1339
Au
8
Si
4
0.010
1340
Au
8
Si
4
0.019
1341
Au
8
Si
4
0.026
1342
Au
8
Si
4
0.006
1343
Au
8
Si
4
0.009
1344
Au
8
Si
4
0.008
1345
Au
8
Si
4
0.038
1346
Au
8
Si
4
0.010
1347
Au
8
Si
4
0.008
1348
Au
8
Si
4
0.005
1349
Au
8
Si
4
0.022
1350
Au
8
Si
4
0.011
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