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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 1251-8 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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
1251
Au
8
Si
4
0.017
1252
Au
8
Si
4
0.009
1253
Au
8
Si
4
0.009
1254
Au
8
Si
4
0.010
1255
Au
8
Si
4
0.023
1256
Au
8
Si
4
0.039
1257
Au
8
Si
4
0.134
1258
Au
8
Si
4
0.037
1259
Au
8
Si
4
0.058
1260
Au
8
Si
4
0.009
1261
Au
8
Si
4
0.044
1262
Au
8
Si
4
0.009
1263
Au
8
Si
4
0.007
1264
Au
8
Si
4
0.014
1265
Au
8
Si
4
0.008
1266
Au
8
Si
4
0.016
1267
Au
8
Si
4
0.009
1268
Au
8
Si
4
0.038
1269
Au
8
Si
4
0.009
1270
Au
8
Si
4
0.009
1271
Au
8
Si
4
0.023
1272
Au
8
Si
4
0.008
1273
Au
8
Si
4
0.005
1274
Au
8
Si
4
0.056
1275
Au
8
Si
4
0.028
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