KIM_API_Version := 1.6.0

# Base units
Unit_length      := A
Unit_energy      := eV
Unit_charge      := e
Unit_temperature := K
Unit_time        := ps


PARTICLE_SPECIES:
# Symbol/name           Type            code
Al                      spec            1


CONVENTIONS:
# Name                  Type
ZeroBasedLists          flag
Neigh_BothAccess        flag

NEIGH_PURE_H            flag
NEIGH_PURE_F            flag
NEIGH_RVEC_H            flag
NEIGH_RVEC_F            flag


MODEL_INPUT:
# Name                         Type         Unit    Shape
numberOfParticles              integer      none    []
numberContributingParticles    integer      none    []
numberOfSpecies                integer      none    []
particleSpecies                integer      none    [numberOfParticles]
coordinates                    double       length  [numberOfParticles,3]
neighObject                    pointer      none    []
get_neigh                      method       none    []

MODEL_OUPUT:
# Name                         Type         Unit    Shape
compute                        method       none    []
destroy                        method       none    []
cutoff                         double       length  []
energy                         double       energy  []
forces                         double       force   [numberOfParticles,3]
# particleEnergy                 double       energy  [numberOfParticles]
# virial                         double       energy  [6]
# particleVirial                 double       energy  [numberOfParticles,6]