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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)
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
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1201
Au
8
Si
4
0.001
1202
Au
8
Si
4
0.001
1203
Au
8
Si
4
0.001
1204
Au
8
Si
4
0.001
1205
Au
8
Si
4
0.001
1206
Au
8
Si
4
0.001
1207
Au
8
Si
4
0.001
1208
Au
8
Si
4
0.001
1209
Au
8
Si
4
0.001
1210
Au
8
Si
4
0.001
1211
Au
8
Si
4
0.001
1212
Au
8
Si
4
0.001
1213
Au
8
Si
4
0.001
1214
Au
8
Si
4
0.001
1215
Au
8
Si
4
0.001
1216
Au
8
Si
4
0.001
1217
Au
8
Si
4
0.001
1218
Au
8
Si
4
0.001
1219
Au
8
Si
4
0.001
1220
Au
8
Si
4
0.001
1221
Au
8
Si
4
0.001
1222
Au
8
Si
4
0.001
1223
Au
8
Si
4
0.001
1224
Au
8
Si
4
0.001
1225
Au
8
Si
4
0.001
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