kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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smspec.edn
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1{
2 "kim-api-sm-schema-version" 1
3 "model-name" "Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu"
4 "simulator-name" "LAMMPS"
5 "simulator-version" "12 Dec 2018"
6 "supported-species" "Pb Au"
7 "units" "metal"
8 "model-defn" [ "pair_style lj/cut 10.4057000"
9 "variable alchemy_mapping index @<atom-type-sym-list>@"
10 "variable alchemy_curr_type loop 10000"
11 "include @<parameter-file-1>@"
12 "pair_modify mix arithmetic"
13 ]
14}