{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.210053 0.998498 ] [ 0.25 0.789947 0.001502 ] [ 0.75 0.210053 0.501502 ] [ 0.25 0.789947 0.498498 ] [ 0.75 0.292437 0.25 ] [ 0.25 0.707563 0.75 ] [ 0.75 0.299615 0.75 ] [ 0.25 0.700385 0.25 ] [ 0.75 0.591626 0.896183 ] [ 0.25 0.408374 0.103817 ] [ 0.75 0.591626 0.603817 ] [ 0.25 0.408374 0.396183 ] [ 0.75 0.909505 0.342839 ] [ 0.25 0.090495 0.657161 ] [ 0.75 0.909505 0.157161 ] [ 0.25 0.090495 0.842839 ] [ 0.75 0.923096 0.857874 ] [ 0.25 0.076904 0.142126 ] [ 0.75 0.923096 0.642126 ] [ 0.25 0.076904 0.357874 ] [ 0.75 0.581768 0.405691 ] [ 0.25 0.418232 0.594309 ] [ 0.75 0.581768 0.094309 ] [ 0.25 0.418232 0.905691 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.34064666 "source-unit" "angstrom" } "b" { "source-value" 7.48360128 "source-unit" "angstrom" } "c" { "source-value" 14.03210325 "source-unit" "angstrom" } }