{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.437995 0.055946 0 ] [ 0.617951 0.562005 0 ] [ 0.944054 0.382049 0 ] [ 0.153124 0.280386 0 ] [ 0.127261 0.846876 0 ] [ 0.719614 0.872739 0 ] [ 0.379255 0.42668 0.5 ] [ 0.047425 0.620745 0.5 ] [ 0.57332 0.952575 0.5 ] [ 0.211786 0.095633 0.5 ] [ 0.883847 0.788214 0.5 ] [ 0.904367 0.116153 0.5 ] [ 0 0 0 ] [ 0.405202 0.286316 0 ] [ 0.881114 0.594798 0 ] [ 0.713684 0.118886 0 ] [ 0.111364 0.407766 0.5 ] [ 0.296402 0.888636 0.5 ] [ 0.592234 0.703598 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.33925929981 "source-unit" "angstrom" } "c" { "source-value" 3.81687008 "source-unit" "angstrom" } }