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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 1276-17 out of 17
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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
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ID
✕
Formula
✕
Energy
✕
1276
Au
8
Si
4
-44.334
1277
Au
8
Si
4
-44.337
1278
Au
8
Si
4
-44.356
1279
Au
8
Si
4
-43.779
1280
Au
8
Si
4
-43.783
1281
Au
8
Si
4
-44.340
1282
Au
8
Si
4
-44.341
1283
Au
8
Si
4
-43.779
1284
Au
8
Si
4
-43.784
1285
Au
8
Si
4
-43.775
1286
Au
8
Si
4
-44.351
1287
Au
8
Si
4
-43.797
1288
Au
8
Si
4
-44.334
1289
Au
8
Si
4
-43.791
1290
Au
8
Si
4
-44.351
1291
Au
8
Si
4
-43.797
1292
Au
8
Si
4
-44.335
1293
Au
8
Si
4
-43.792
1294
Au
8
Si
4
-43.797
1295
Au
8
Si
4
-44.350
1296
Au
8
Si
4
-43.225
1297
Au
8
Si
4
-43.783
1298
Au
8
Si
4
-44.345
1299
Au
8
Si
4
-44.359
1300
Au
8
Si
4
-44.340
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