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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 1176-17 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)
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
✕
Mass
✕
1176
Au
8
Si
4
1688.073
1177
Au
8
Si
4
1688.073
1178
Au
8
Si
4
1688.073
1179
Au
8
Si
4
1688.073
1180
Au
8
Si
4
1688.073
1181
Au
8
Si
4
1688.073
1182
Au
8
Si
4
1688.073
1183
Au
8
Si
4
1688.073
1184
Au
8
Si
4
1688.073
1185
Au
8
Si
4
1688.073
1186
Au
8
Si
4
1688.073
1187
Au
8
Si
4
1688.073
1188
Au
8
Si
4
1688.073
1189
Au
8
Si
4
1688.073
1190
Au
8
Si
4
1688.073
1191
Au
8
Si
4
1688.073
1192
Au
8
Si
4
1688.073
1193
Au
8
Si
4
1688.073
1194
Au
8
Si
4
1688.073
1195
Au
8
Si
4
1688.073
1196
Au
8
Si
4
1688.073
1197
Au
8
Si
4
1688.073
1198
Au
8
Si
4
1688.073
1199
Au
8
Si
4
1688.073
1200
Au
8
Si
4
1688.073
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