{ "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 0.374478 0.675127 ] [ 0.75 0.625522 0.324873 ] [ 0.75 0.874478 0.824873 ] [ 0.25 0.125522 0.175127 ] [ 0.25 0.859804 0.543945 ] [ 0.75 0.140196 0.456055 ] [ 0.75 0.359804 0.956055 ] [ 0.25 0.640196 0.043945 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.78472794 "source-unit" "angstrom" } "b" { "source-value" 5.25262912 "source-unit" "angstrom" } "c" { "source-value" 6.91331547 "source-unit" "angstrom" } }