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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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1076
Au
8
Si
4
1421.698
1077
Au
8
Si
4
1425.224
1078
Au
8
Si
4
1442.550
1079
Au
8
Si
4
1444.243
1080
Au
8
Si
4
1426.615
1081
Au
8
Si
4
1427.214
1082
Au
8
Si
4
1427.386
1083
Au
8
Si
4
1427.404
1084
Au
8
Si
4
1427.137
1085
Au
8
Si
4
1443.918
1086
Au
8
Si
4
1426.880
1087
Au
8
Si
4
1427.397
1088
Au
8
Si
4
1427.155
1089
Au
8
Si
4
1422.044
1090
Au
8
Si
4
1443.814
1091
Au
8
Si
4
1427.123
1092
Au
8
Si
4
1426.867
1093
Au
8
Si
4
1422.695
1094
Au
8
Si
4
1427.322
1095
Au
8
Si
4
1427.139
1096
Au
8
Si
4
1427.411
1097
Au
8
Si
4
1427.415
1098
Au
8
Si
4
1425.064
1099
Au
8
Si
4
1427.080
1100
Au
8
Si
4
1443.798
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