{ "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" [ [ 0.560217 0.75 0.908071 ] [ 0.060217 0.25 0.591929 ] [ 0.491554 0.75 0.226027 ] [ 0.439783 0.25 0.091929 ] [ 0.008446 0.75 0.726027 ] [ 0.939783 0.75 0.408071 ] [ 0.991554 0.25 0.273973 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.508446 0.25 0.773973 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.312584 0.75 0.408448 ] [ 0.187416 0.75 0.908448 ] [ 0.241934 0.00484 0.662396 ] [ 0.243876 0.25 0.428403 ] [ 0.758066 0.50484 0.337604 ] [ 0.758066 0.99516 0.337604 ] [ 0.741934 0.50484 0.837604 ] [ 0.756124 0.75 0.571597 ] [ 0.258066 0.49516 0.162396 ] [ 0.741934 0.99516 0.837604 ] [ 0.256124 0.25 0.928403 ] [ 0.258066 0.00484 0.162396 ] [ 0.687416 0.25 0.591552 ] [ 0.743876 0.75 0.071597 ] [ 0.241934 0.49516 0.662396 ] [ 0.812584 0.25 0.091552 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.57427763 "source-unit" "angstrom" } "b" { "source-value" 5.57508092 "source-unit" "angstrom" } "c" { "source-value" 9.52079961 "source-unit" "angstrom" } }