{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.999068 0.75 0.269344 ] [ 0.499068 0.25 0.230656 ] [ 0.000932 0.25 0.730656 ] [ 0.500932 0.75 0.769344 ] [ 0.941477 0.75 0.593051 ] [ 0.441477 0.25 0.906949 ] [ 0.058523 0.25 0.406949 ] [ 0.558523 0.75 0.093051 ] [ 0.754339 0.75 0.923923 ] [ 0.254339 0.25 0.576077 ] [ 0.245661 0.25 0.076077 ] [ 0.745661 0.75 0.423923 ] [ 0.152981 0.75 0.094762 ] [ 0.652981 0.25 0.405238 ] [ 0.847019 0.25 0.905238 ] [ 0.347019 0.75 0.594762 ] [ 0.240898 0.5093 0.832128 ] [ 0.740898 0.4907 0.667872 ] [ 0.759102 0.0093 0.167872 ] [ 0.259102 0.9907 0.332128 ] [ 0.740898 0.0093 0.667872 ] [ 0.240898 0.9907 0.832128 ] [ 0.259102 0.5093 0.332128 ] [ 0.759102 0.4907 0.167872 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.59987046 "source-unit" "angstrom" } "b" { "source-value" 6.77453177 "source-unit" "angstrom" } "c" { "source-value" 11.6916711 "source-unit" "angstrom" } }