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MATLAB-code
ASE database
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C_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
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
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 76-31 out of 31
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C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
gap
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Maximum stress
✕
Maximum force
✕
76
0.000
0.006
77
0.000
0.008
78
0.000
0.008
79
0.000
0.008
80
0.000
0.008
81
0.000
0.007
82
0.000
0.005
83
0.000
0.006
84
0.000
0.005
85
0.000
0.004
86
0.000
0.007
87
0.000
0.009
88
0.000
0.008
89
0.000
0.007
90
0.000
0.006
91
0.000
0.007
92
0.000
0.010
93
0.000
0.009
94
0.001
0.009
95
0.000
0.007
96
0.000
0.008
97
0.000
0.008
98
0.000
0.005
99
0.000
0.009
100
0.000
0.005
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