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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 151-8 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)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Maximum stress
✕
Mass
✕
151
Au
8
Si
4
yangxb
0.001
1688.073
152
Au
8
Si
4
yangxb
0.001
1688.073
153
Au
8
Si
4
yangxb
0.001
1688.073
154
Au
8
Si
4
yangxb
0.001
1688.073
155
Au
8
Si
4
yangxb
0.001
1688.073
156
Au
8
Si
4
yangxb
0.001
1688.073
157
Au
8
Si
4
yangxb
0.001
1688.073
158
Au
8
Si
4
yangxb
0.001
1688.073
159
Au
8
Si
4
yangxb
0.001
1688.073
160
Au
8
Si
4
yangxb
0.001
1688.073
161
Au
8
Si
4
yangxb
0.001
1688.073
162
Au
8
Si
4
yangxb
0.001
1688.073
163
Au
8
Si
4
yangxb
0.001
1688.073
164
Au
8
Si
4
yangxb
0.001
1688.073
165
Au
8
Si
4
yangxb
0.001
1688.073
166
Au
8
Si
4
yangxb
0.001
1688.073
167
Au
8
Si
4
yangxb
0.001
1688.073
168
Au
8
Si
4
yangxb
0.000
1688.073
169
Au
8
Si
4
yangxb
0.001
1688.073
170
Au
8
Si
4
yangxb
0.001
1688.073
171
Au
8
Si
4
yangxb
0.001
1688.073
172
Au
8
Si
4
yangxb
0.001
1688.073
173
Au
8
Si
4
yangxb
0.001
1688.073
174
Au
8
Si
4
yangxb
0.001
1688.073
175
Au
8
Si
4
yangxb
0.001
1688.073
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