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ASE database
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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
perms_num
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 76-100 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
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Username
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76
mse-gucc
77
mse-gucc
78
mse-gucc
79
mse-gucc
80
mse-gucc
81
mse-gucc
82
mse-gucc
83
mse-gucc
84
mse-gucc
85
mse-gucc
86
mse-gucc
87
mse-gucc
88
mse-gucc
89
mse-gucc
90
mse-gucc
91
mse-gucc
92
mse-gucc
93
mse-gucc
94
mse-gucc
95
mse-gucc
96
mse-gucc
97
mse-gucc
98
mse-gucc
99
mse-gucc
100
mse-gucc
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