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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 101-31 out of 31
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C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Chemical formula (formula)
gap
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum force
✕
Energy
✕
Mass
✕
Maximum stress
✕
101
0.008
-132.089
17285.869
0.000
102
0.010
-136.661
17285.869
0.000
103
0.006
-135.607
17285.869
0.000
104
0.008
-135.226
17285.869
0.000
105
0.007
-133.527
17285.869
0.000
106
0.009
-134.855
17285.869
0.000
107
0.009
-132.523
17285.869
0.000
108
0.007
-134.244
17285.869
0.000
109
0.009
-133.827
17285.869
0.000
110
0.004
-134.241
17285.869
0.000
111
0.008
-135.660
17285.869
0.000
112
0.005
-136.282
17285.869
0.000
113
0.009
-137.631
17285.869
0.000
114
0.009
-133.976
17285.869
0.000
115
0.006
-135.119
17285.869
0.000
116
0.005
-135.209
17285.869
0.000
117
0.007
-133.727
17285.869
0.000
118
0.008
-136.520
17285.869
0.000
119
0.004
-132.265
17285.869
0.000
120
0.008
-135.897
17285.869
0.000
121
0.008
-137.915
17285.869
0.000
122
0.008
-135.521
17285.869
0.000
123
0.009
-135.591
17285.869
0.001
124
0.005
-137.654
17285.869
0.000
125
0.007
-136.202
17285.869
0.000
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