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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 1076-17 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)
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
✕
1076
Au
8
Si
4
yangxb
1077
Au
8
Si
4
yangxb
1078
Au
8
Si
4
yangxb
1079
Au
8
Si
4
yangxb
1080
Au
8
Si
4
yangxb
1081
Au
8
Si
4
yangxb
1082
Au
8
Si
4
yangxb
1083
Au
8
Si
4
yangxb
1084
Au
8
Si
4
yangxb
1085
Au
8
Si
4
yangxb
1086
Au
8
Si
4
yangxb
1087
Au
8
Si
4
yangxb
1088
Au
8
Si
4
yangxb
1089
Au
8
Si
4
yangxb
1090
Au
8
Si
4
yangxb
1091
Au
8
Si
4
yangxb
1092
Au
8
Si
4
yangxb
1093
Au
8
Si
4
yangxb
1094
Au
8
Si
4
yangxb
1095
Au
8
Si
4
yangxb
1096
Au
8
Si
4
yangxb
1097
Au
8
Si
4
yangxb
1098
Au
8
Si
4
yangxb
1099
Au
8
Si
4
yangxb
1100
Au
8
Si
4
yangxb
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