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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 1126-17 out of 17
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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
↓
ID
✕
Formula
✕
Charge
✕
1126
Au
8
Si
4
0.000
1127
Au
8
Si
4
0.000
1128
Au
8
Si
4
0.000
1129
Au
8
Si
4
0.000
1130
Au
8
Si
4
0.000
1131
Au
8
Si
4
0.000
1132
Au
8
Si
4
0.000
1133
Au
8
Si
4
0.000
1134
Au
8
Si
4
0.000
1135
Au
8
Si
4
0.000
1136
Au
8
Si
4
0.000
1137
Au
8
Si
4
0.000
1138
Au
8
Si
4
0.000
1139
Au
8
Si
4
0.000
1140
Au
8
Si
4
0.000
1141
Au
8
Si
4
0.000
1142
Au
8
Si
4
0.000
1143
Au
8
Si
4
0.000
1144
Au
8
Si
4
0.000
1145
Au
8
Si
4
0.000
1146
Au
8
Si
4
0.000
1147
Au
8
Si
4
0.000
1148
Au
8
Si
4
0.000
1149
Au
8
Si
4
0.000
1150
Au
8
Si
4
0.000
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