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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 1151-17 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
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200
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ID
✕
Formula
✕
Maximum force
✕
1151
Au
8
Si
4
0.032
1152
Au
8
Si
4
0.008
1153
Au
8
Si
4
0.008
1154
Au
8
Si
4
0.006
1155
Au
8
Si
4
0.006
1156
Au
8
Si
4
0.008
1157
Au
8
Si
4
0.020
1158
Au
8
Si
4
0.025
1159
Au
8
Si
4
0.027
1160
Au
8
Si
4
0.009
1161
Au
8
Si
4
0.021
1162
Au
8
Si
4
0.009
1163
Au
8
Si
4
0.009
1164
Au
8
Si
4
0.015
1165
Au
8
Si
4
0.009
1166
Au
8
Si
4
0.009
1167
Au
8
Si
4
0.021
1168
Au
8
Si
4
0.009
1169
Au
8
Si
4
0.060
1170
Au
8
Si
4
0.007
1171
Au
8
Si
4
0.061
1172
Au
8
Si
4
0.007
1173
Au
8
Si
4
0.012
1174
Au
8
Si
4
0.015
1175
Au
8
Si
4
0.019
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