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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 1301-18 out of 18
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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
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ID
✕
Formula
✕
Maximum force
✕
1301
Au
8
Si
4
0.022
1302
Au
8
Si
4
0.015
1303
Au
8
Si
4
0.010
1304
Au
8
Si
4
0.010
1305
Au
8
Si
4
0.010
1306
Au
8
Si
4
0.017
1307
Au
8
Si
4
0.007
1308
Au
8
Si
4
0.008
1309
Au
8
Si
4
0.017
1310
Au
8
Si
4
0.032
1311
Au
8
Si
4
0.087
1312
Au
8
Si
4
0.007
1313
Au
8
Si
4
0.019
1314
Au
8
Si
4
0.117
1315
Au
8
Si
4
0.010
1316
Au
8
Si
4
0.013
1317
Au
8
Si
4
0.029
1318
Au
8
Si
4
0.010
1319
Au
8
Si
4
0.025
1320
Au
8
Si
4
0.027
1321
Au
8
Si
4
0.009
1322
Au
8
Si
4
0.057
1323
Au
8
Si
4
0.023
1324
Au
8
Si
4
0.039
1325
Au
8
Si
4
0.009
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