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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 1101-8 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)
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
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1101
Au
8
Si
4
-44.331
1102
Au
8
Si
4
-43.783
1103
Au
8
Si
4
-43.782
1104
Au
8
Si
4
-44.349
1105
Au
8
Si
4
-44.339
1106
Au
8
Si
4
-44.339
1107
Au
8
Si
4
-43.782
1108
Au
8
Si
4
-44.340
1109
Au
8
Si
4
-44.343
1110
Au
8
Si
4
-44.341
1111
Au
8
Si
4
-44.323
1112
Au
8
Si
4
-44.346
1113
Au
8
Si
4
-43.778
1114
Au
8
Si
4
-43.790
1115
Au
8
Si
4
-43.801
1116
Au
8
Si
4
-44.326
1117
Au
8
Si
4
-44.344
1118
Au
8
Si
4
-44.336
1119
Au
8
Si
4
-44.358
1120
Au
8
Si
4
-43.772
1121
Au
8
Si
4
-44.351
1122
Au
8
Si
4
-44.345
1123
Au
8
Si
4
-43.782
1124
Au
8
Si
4
-43.781
1125
Au
8
Si
4
-43.797
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