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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 1201-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
1201
Au
8
Si
4
0.000
1202
Au
8
Si
4
0.000
1203
Au
8
Si
4
0.000
1204
Au
8
Si
4
0.000
1205
Au
8
Si
4
0.000
1206
Au
8
Si
4
0.000
1207
Au
8
Si
4
0.000
1208
Au
8
Si
4
0.000
1209
Au
8
Si
4
0.000
1210
Au
8
Si
4
0.000
1211
Au
8
Si
4
0.000
1212
Au
8
Si
4
0.000
1213
Au
8
Si
4
0.000
1214
Au
8
Si
4
0.000
1215
Au
8
Si
4
0.000
1216
Au
8
Si
4
0.000
1217
Au
8
Si
4
0.000
1218
Au
8
Si
4
0.000
1219
Au
8
Si
4
0.000
1220
Au
8
Si
4
0.000
1221
Au
8
Si
4
0.000
1222
Au
8
Si
4
0.000
1223
Au
8
Si
4
0.000
1224
Au
8
Si
4
0.000
1225
Au
8
Si
4
0.000
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