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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 1176-594 out of 594
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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
✕
1176
Au
8
Si
4
0.049
1177
Au
8
Si
4
0.010
1178
Au
8
Si
4
0.016
1179
Au
8
Si
4
0.008
1180
Au
8
Si
4
0.029
1181
Au
8
Si
4
0.028
1182
Au
8
Si
4
0.011
1183
Au
8
Si
4
0.020
1184
Au
8
Si
4
0.008
1185
Au
8
Si
4
0.111
1186
Au
8
Si
4
0.006
1187
Au
8
Si
4
0.058
1188
Au
8
Si
4
0.010
1189
Au
8
Si
4
0.016
1190
Au
8
Si
4
0.017
1191
Au
8
Si
4
0.007
1192
Au
8
Si
4
0.008
1193
Au
8
Si
4
0.013
1194
Au
8
Si
4
0.008
1195
Au
8
Si
4
0.017
1196
Au
8
Si
4
0.008
1197
Au
8
Si
4
0.008
1198
Au
8
Si
4
0.035
1199
Au
8
Si
4
0.009
1200
Au
8
Si
4
0.010
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