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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 126-17 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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Mass
✕
126
Au
8
Si
4
1688.073
127
Au
8
Si
4
1688.073
128
Au
8
Si
4
1688.073
129
Au
8
Si
4
1688.073
130
Au
8
Si
4
1688.073
131
Au
8
Si
4
1688.073
132
Au
8
Si
4
1688.073
133
Au
8
Si
4
1688.073
134
Au
8
Si
4
1688.073
135
Au
8
Si
4
1688.073
136
Au
8
Si
4
1688.073
137
Au
8
Si
4
1688.073
138
Au
8
Si
4
1688.073
139
Au
8
Si
4
1688.073
140
Au
8
Si
4
1688.073
141
Au
8
Si
4
1688.073
142
Au
8
Si
4
1688.073
143
Au
8
Si
4
1688.073
144
Au
8
Si
4
1688.073
145
Au
8
Si
4
1688.073
146
Au
8
Si
4
1688.073
147
Au
8
Si
4
1688.073
148
Au
8
Si
4
1688.073
149
Au
8
Si
4
1688.073
150
Au
8
Si
4
1688.073
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