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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 1176-8 out of 8
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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1176
Au
8
Si
4
0.001
1177
Au
8
Si
4
0.001
1178
Au
8
Si
4
0.001
1179
Au
8
Si
4
0.001
1180
Au
8
Si
4
0.001
1181
Au
8
Si
4
0.001
1182
Au
8
Si
4
0.001
1183
Au
8
Si
4
0.001
1184
Au
8
Si
4
0.001
1185
Au
8
Si
4
0.001
1186
Au
8
Si
4
0.001
1187
Au
8
Si
4
0.001
1188
Au
8
Si
4
0.001
1189
Au
8
Si
4
0.001
1190
Au
8
Si
4
0.001
1191
Au
8
Si
4
0.001
1192
Au
8
Si
4
0.001
1193
Au
8
Si
4
0.001
1194
Au
8
Si
4
0.001
1195
Au
8
Si
4
0.001
1196
Au
8
Si
4
0.001
1197
Au
8
Si
4
0.001
1198
Au
8
Si
4
0.001
1199
Au
8
Si
4
0.001
1200
Au
8
Si
4
0.001
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