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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 1126-18 out of 18
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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)
Volume of unit cell (volume)
Rows: 25
10
25
50
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ID
✕
Formula
✕
Username
✕
1126
Au
8
Si
4
yangxb
1127
Au
8
Si
4
yangxb
1128
Au
8
Si
4
yangxb
1129
Au
8
Si
4
yangxb
1130
Au
8
Si
4
yangxb
1131
Au
8
Si
4
yangxb
1132
Au
8
Si
4
yangxb
1133
Au
8
Si
4
yangxb
1134
Au
8
Si
4
yangxb
1135
Au
8
Si
4
yangxb
1136
Au
8
Si
4
yangxb
1137
Au
8
Si
4
yangxb
1138
Au
8
Si
4
yangxb
1139
Au
8
Si
4
yangxb
1140
Au
8
Si
4
yangxb
1141
Au
8
Si
4
yangxb
1142
Au
8
Si
4
yangxb
1143
Au
8
Si
4
yangxb
1144
Au
8
Si
4
yangxb
1145
Au
8
Si
4
yangxb
1146
Au
8
Si
4
yangxb
1147
Au
8
Si
4
yangxb
1148
Au
8
Si
4
yangxb
1149
Au
8
Si
4
yangxb
1150
Au
8
Si
4
yangxb
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