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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 1251-414 out of 414
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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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
1251
Au
8
Si
4
0.001
1252
Au
8
Si
4
0.001
1253
Au
8
Si
4
0.001
1254
Au
8
Si
4
0.001
1255
Au
8
Si
4
0.001
1256
Au
8
Si
4
0.001
1257
Au
8
Si
4
0.001
1258
Au
8
Si
4
0.001
1259
Au
8
Si
4
0.001
1260
Au
8
Si
4
0.001
1261
Au
8
Si
4
0.001
1262
Au
8
Si
4
0.001
1263
Au
8
Si
4
0.001
1264
Au
8
Si
4
0.001
1265
Au
8
Si
4
0.001
1266
Au
8
Si
4
0.001
1267
Au
8
Si
4
0.001
1268
Au
8
Si
4
0.001
1269
Au
8
Si
4
0.001
1270
Au
8
Si
4
0.001
1271
Au
8
Si
4
0.001
1272
Au
8
Si
4
0.001
1273
Au
8
Si
4
0.001
1274
Au
8
Si
4
0.001
1275
Au
8
Si
4
0.001
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