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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 51-75 out of 2180
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E
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
Volume
✕
Au_rate
✕
Energy
✕
Maximum stress
✕
Si_rate
✕
Calculator
✕
Maximum force
✕
51
yangxb
0.000
59M
TTT
17285.869
1722.065
0.714
-50.366
0.000
0.286
vasp
0.006
52
yangxb
0.000
59M
TTT
17285.869
1722.084
0.714
-50.363
0.001
0.286
vasp
0.004
53
yangxb
0.000
59M
TTT
17285.869
1721.872
0.714
-50.364
0.000
0.286
vasp
0.003
54
yangxb
0.000
59M
TTT
17285.869
1721.756
0.714
-50.381
0.001
0.286
vasp
0.009
55
yangxb
0.000
59M
TTT
17285.869
1722.394
0.714
-50.369
0.001
0.286
vasp
0.010
56
yangxb
0.000
59M
TTT
17285.869
1721.851
0.714
-50.380
0.001
0.286
vasp
0.006
57
yangxb
0.000
59M
TTT
17285.869
1722.306
0.714
-50.381
0.001
0.286
vasp
0.008
58
yangxb
0.000
59M
TTT
17285.869
1721.615
0.714
-50.374
0.000
0.286
vasp
0.007
59
yangxb
0.000
59M
TTT
17285.869
1721.847
0.714
-50.363
0.001
0.286
vasp
0.005
60
yangxb
0.000
59M
TTT
17285.869
1721.793
0.714
-50.375
0.001
0.286
vasp
0.004
61
yangxb
0.000
59M
TTT
17285.869
1722.559
0.714
-50.366
0.001
0.286
vasp
0.007
62
yangxb
0.000
59M
TTT
17285.869
1722.116
0.714
-50.375
0.001
0.286
vasp
0.006
63
yangxb
0.000
59M
TTT
17285.869
1721.925
0.714
-50.369
0.001
0.286
vasp
0.007
64
yangxb
0.000
59M
TTT
17285.869
1722.036
0.714
-50.366
0.001
0.286
vasp
0.007
65
yangxb
0.000
59M
TTT
17285.869
1722.233
0.714
-50.361
0.001
0.286
vasp
0.010
66
yangxb
0.000
59M
TTT
17285.869
1721.854
0.714
-50.374
0.001
0.286
vasp
0.007
67
yangxb
0.000
59M
TTT
17285.869
1721.921
0.714
-50.370
0.001
0.286
vasp
0.008
68
yangxb
0.000
59M
TTT
17285.869
1721.609
0.714
-50.379
0.001
0.286
vasp
0.009
69
yangxb
0.000
59M
TTT
17285.869
1722.079
0.714
-50.371
0.001
0.286
vasp
0.003
70
yangxb
0.000
59M
TTT
17285.869
1721.780
0.714
-50.379
0.001
0.286
vasp
0.007
71
yangxb
0.000
59M
TTT
17285.869
1721.898
0.714
-50.374
0.001
0.286
vasp
0.006
72
yangxb
0.000
59M
TTT
17285.869
1721.789
0.714
-50.379
0.001
0.286
vasp
0.007
73
yangxb
0.000
59M
TTT
17285.869
1721.708
0.714
-50.377
0.001
0.286
vasp
0.007
74
yangxb
0.000
59M
TTT
17285.869
1722.059
0.714
-50.369
0.001
0.286
vasp
0.007
75
yangxb
0.000
59M
TTT
17285.869
1721.863
0.714
-50.374
0.000
0.286
vasp
0.010
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