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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 1176-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
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
✕
Charge
✕
1176
Au
8
Si
4
0.000
1177
Au
8
Si
4
0.000
1178
Au
8
Si
4
0.000
1179
Au
8
Si
4
0.000
1180
Au
8
Si
4
0.000
1181
Au
8
Si
4
0.000
1182
Au
8
Si
4
0.000
1183
Au
8
Si
4
0.000
1184
Au
8
Si
4
0.000
1185
Au
8
Si
4
0.000
1186
Au
8
Si
4
0.000
1187
Au
8
Si
4
0.000
1188
Au
8
Si
4
0.000
1189
Au
8
Si
4
0.000
1190
Au
8
Si
4
0.000
1191
Au
8
Si
4
0.000
1192
Au
8
Si
4
0.000
1193
Au
8
Si
4
0.000
1194
Au
8
Si
4
0.000
1195
Au
8
Si
4
0.000
1196
Au
8
Si
4
0.000
1197
Au
8
Si
4
0.000
1198
Au
8
Si
4
0.000
1199
Au
8
Si
4
0.000
1200
Au
8
Si
4
0.000
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