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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)
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
100
200
↓
ID
✕
Formula
✕
Username
✕
1101
Au
8
Si
4
yangxb
1102
Au
8
Si
4
yangxb
1103
Au
8
Si
4
yangxb
1104
Au
8
Si
4
yangxb
1105
Au
8
Si
4
yangxb
1106
Au
8
Si
4
yangxb
1107
Au
8
Si
4
yangxb
1108
Au
8
Si
4
yangxb
1109
Au
8
Si
4
yangxb
1110
Au
8
Si
4
yangxb
1111
Au
8
Si
4
yangxb
1112
Au
8
Si
4
yangxb
1113
Au
8
Si
4
yangxb
1114
Au
8
Si
4
yangxb
1115
Au
8
Si
4
yangxb
1116
Au
8
Si
4
yangxb
1117
Au
8
Si
4
yangxb
1118
Au
8
Si
4
yangxb
1119
Au
8
Si
4
yangxb
1120
Au
8
Si
4
yangxb
1121
Au
8
Si
4
yangxb
1122
Au
8
Si
4
yangxb
1123
Au
8
Si
4
yangxb
1124
Au
8
Si
4
yangxb
1125
Au
8
Si
4
yangxb
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