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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)
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
✕
Maximum force
✕
1201
Au
8
Si
4
0.014
1202
Au
8
Si
4
0.012
1203
Au
8
Si
4
0.055
1204
Au
8
Si
4
0.019
1205
Au
8
Si
4
0.023
1206
Au
8
Si
4
0.014
1207
Au
8
Si
4
0.009
1208
Au
8
Si
4
0.015
1209
Au
8
Si
4
0.012
1210
Au
8
Si
4
0.009
1211
Au
8
Si
4
0.022
1212
Au
8
Si
4
0.008
1213
Au
8
Si
4
0.052
1214
Au
8
Si
4
0.024
1215
Au
8
Si
4
0.504
1216
Au
8
Si
4
0.011
1217
Au
8
Si
4
0.011
1218
Au
8
Si
4
0.005
1219
Au
8
Si
4
0.008
1220
Au
8
Si
4
0.010
1221
Au
8
Si
4
0.030
1222
Au
8
Si
4
0.010
1223
Au
8
Si
4
0.010
1224
Au
8
Si
4
0.009
1225
Au
8
Si
4
0.010
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