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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1176
Au
8
Si
4
1443.584
1177
Au
8
Si
4
1443.729
1178
Au
8
Si
4
1443.308
1179
Au
8
Si
4
1424.022
1180
Au
8
Si
4
1444.106
1181
Au
8
Si
4
1444.124
1182
Au
8
Si
4
1427.247
1183
Au
8
Si
4
1427.292
1184
Au
8
Si
4
1443.634
1185
Au
8
Si
4
1443.724
1186
Au
8
Si
4
1443.751
1187
Au
8
Si
4
1424.644
1188
Au
8
Si
4
1424.973
1189
Au
8
Si
4
1443.593
1190
Au
8
Si
4
1442.458
1191
Au
8
Si
4
1427.330
1192
Au
8
Si
4
1427.248
1193
Au
8
Si
4
1443.758
1194
Au
8
Si
4
1426.968
1195
Au
8
Si
4
1425.745
1196
Au
8
Si
4
1427.182
1197
Au
8
Si
4
1424.353
1198
Au
8
Si
4
1422.163
1199
Au
8
Si
4
1427.474
1200
Au
8
Si
4
1427.008
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