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IA
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1
H
IIA
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IIIA
IVA
VA
VIA
VIIA
He
2
Li
Be
B
C
N
O
F
Ne
3
Na
Mg
IIIB
IVB
VB
VIB
VIIB
VIIIB
IB
IIB
Al
Si
P
S
Cl
Ar
4
K
Ca
Sc
Ti
V
Cr
Mn
Fe
Co
Ni
Cu
Zn
Ga
Ge
As
Se
Br
Kr
5
Rb
Sr
Y
Zr
Nb
Mo
Tc
Ru
Rh
Pd
Ag
Cd
In
Sn
Sb
Te
I
Xe
6
Cs
Ba
La
Hf
Ta
W
Re
Os
Ir
Pt
Au
Hg
Tl
Pb
Bi
Po
At
Rn
7
Fr
Ra
Ac
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Ce
Pr
Nd
Pm
Sm
Eu
Gd
Tb
Dy
Ho
Er
Tm
Yb
Lu
Actinides
Th
Pa
U
Np
Pu
Am
Cm
Bk
Cf
Es
Fm
Md
No
Lr
230525
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Potential
potential_LAMMPS
potential_LAMMPS_KIM
relaxed_crystal
PotentialProperties
calculation_isolated_atom
calculation_diatom_scan
calculation_E_vs_r_scan
calculation_relax_box
calculation_relax_static
calculation_relax_dynamic
calculation_crystal_space_group
calculation_free_energy
calculation_elastic_constants_static
calculation_elastic_constants_dynamic
calculation_point_defect_static
calculation_surface_energy_static
calculation_stacking_fault_map_2D
calculation_dislocation_monopole
calculation_relax_liquid_redo
Citation
crystal_prototype
free_surface
stacking_fault
point_defect
dislocation
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calculation_bond_angle_scan
pycdcs-test
calculation_diffusion_liquid
calculation_viscosity_green_kubo
calculation_free_energy_liquid
230525
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