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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 1301-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1301
Au
8
Si
4
-44.352
1302
Au
8
Si
4
-44.345
1303
Au
8
Si
4
-43.798
1304
Au
8
Si
4
-44.338
1305
Au
8
Si
4
-44.337
1306
Au
8
Si
4
-44.355
1307
Au
8
Si
4
-43.775
1308
Au
8
Si
4
-44.324
1309
Au
8
Si
4
-43.773
1310
Au
8
Si
4
-44.344
1311
Au
8
Si
4
-43.772
1312
Au
8
Si
4
-43.792
1313
Au
8
Si
4
-44.339
1314
Au
8
Si
4
-43.762
1315
Au
8
Si
4
-44.334
1316
Au
8
Si
4
-44.327
1317
Au
8
Si
4
-43.777
1318
Au
8
Si
4
-44.338
1319
Au
8
Si
4
-43.779
1320
Au
8
Si
4
-44.337
1321
Au
8
Si
4
-44.335
1322
Au
8
Si
4
-44.350
1323
Au
8
Si
4
-44.351
1324
Au
8
Si
4
-44.317
1325
Au
8
Si
4
-44.355
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