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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 1201-594 out of 594
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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
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ID
✕
Formula
✕
Username
✕
1201
Au
8
Si
4
yangxb
1202
Au
8
Si
4
yangxb
1203
Au
8
Si
4
yangxb
1204
Au
8
Si
4
yangxb
1205
Au
8
Si
4
yangxb
1206
Au
8
Si
4
yangxb
1207
Au
8
Si
4
yangxb
1208
Au
8
Si
4
yangxb
1209
Au
8
Si
4
yangxb
1210
Au
8
Si
4
yangxb
1211
Au
8
Si
4
yangxb
1212
Au
8
Si
4
yangxb
1213
Au
8
Si
4
yangxb
1214
Au
8
Si
4
yangxb
1215
Au
8
Si
4
yangxb
1216
Au
8
Si
4
yangxb
1217
Au
8
Si
4
yangxb
1218
Au
8
Si
4
yangxb
1219
Au
8
Si
4
yangxb
1220
Au
8
Si
4
yangxb
1221
Au
8
Si
4
yangxb
1222
Au
8
Si
4
yangxb
1223
Au
8
Si
4
yangxb
1224
Au
8
Si
4
yangxb
1225
Au
8
Si
4
yangxb
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