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MATLAB-code
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 101-125 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Mass
✕
Energy
✕
101
17285.869
-617.594
102
17285.869
-620.184
103
17285.869
-620.395
104
17285.869
-621.436
105
17285.869
-620.141
106
17285.869
-619.459
107
17285.869
-620.162
108
17285.869
-619.929
109
17285.869
-618.910
110
17285.869
-623.037
111
17285.869
-533.595
112
17285.869
-621.943
113
17285.869
-623.638
114
17285.869
-622.597
115
17285.869
-621.097
116
17285.869
-623.414
117
17285.869
-614.824
118
17285.869
-616.410
119
17285.869
-616.110
120
17285.869
-615.559
121
17285.869
-616.335
122
17285.869
-620.341
123
17285.869
-618.772
124
17285.869
-615.353
125
17285.869
-618.136
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