{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.040839 0.22953 ] [ 0.75 0.959161 0.77047 ] [ 0.75 0.540839 0.27047 ] [ 0.25 0.459161 0.72953 ] [ 0.25 0.322109 0.011049 ] [ 0.75 0.677891 0.988951 ] [ 0.75 0.822109 0.488951 ] [ 0.25 0.177891 0.511049 ] [ 0.25 0.590645 0.491074 ] [ 0.75 0.409355 0.508926 ] [ 0.75 0.090645 0.008926 ] [ 0.25 0.909355 0.991074 ] [ 0.25 0.564383 0.101291 ] [ 0.75 0.435617 0.898709 ] [ 0.75 0.064383 0.398709 ] [ 0.25 0.935617 0.601291 ] [ 0.25 0.378939 0.395627 ] [ 0.75 0.621061 0.604373 ] [ 0.75 0.878939 0.104373 ] [ 0.25 0.121061 0.895627 ] [ 0.25 0.754493 0.362499 ] [ 0.75 0.245507 0.637501 ] [ 0.75 0.254493 0.137501 ] [ 0.25 0.745507 0.862499 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Hf" "Hf" "Hf" "Hf" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.83903312 "source-unit" "angstrom" } "b" { "source-value" 10.30813983 "source-unit" "angstrom" } "c" { "source-value" 13.72320518 "source-unit" "angstrom" } }