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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 1126-17 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
✕
1126
Au
8
Si
4
1427.443
1127
Au
8
Si
4
1455.748
1128
Au
8
Si
4
1421.146
1129
Au
8
Si
4
1427.678
1130
Au
8
Si
4
1427.236
1131
Au
8
Si
4
1444.248
1132
Au
8
Si
4
1426.572
1133
Au
8
Si
4
1426.020
1134
Au
8
Si
4
1443.607
1135
Au
8
Si
4
1422.671
1136
Au
8
Si
4
1422.080
1137
Au
8
Si
4
1427.237
1138
Au
8
Si
4
1424.219
1139
Au
8
Si
4
1424.326
1140
Au
8
Si
4
1443.364
1141
Au
8
Si
4
1442.884
1142
Au
8
Si
4
1426.778
1143
Au
8
Si
4
1426.933
1144
Au
8
Si
4
1427.435
1145
Au
8
Si
4
1423.087
1146
Au
8
Si
4
1444.168
1147
Au
8
Si
4
1423.939
1148
Au
8
Si
4
1420.380
1149
Au
8
Si
4
1427.352
1150
Au
8
Si
4
1424.554
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