{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.201453 0.883089 0.253291 ] [ 0 0.369106 0.705189 ] [ 0 0.630894 0.205189 ] [ 0.798547 0.883089 0.253291 ] [ 0.798547 0.116911 0.753291 ] [ 0.201453 0.116911 0.753291 ] [ 0.701453 0.383089 0.253291 ] [ 0.5 0.869106 0.705189 ] [ 0.5 0.130894 0.205189 ] [ 0.298547 0.383089 0.253291 ] [ 0.298547 0.616911 0.753291 ] [ 0.701453 0.616911 0.753291 ] [ 0 0.20575 0.14557 ] [ 0 0.79425 0.64557 ] [ 0.5 0.70575 0.14557 ] [ 0.5 0.29425 0.64557 ] [ 0.822112 0.132864 0.271162 ] [ 0 0.379091 0.231218 ] [ 0 0.620909 0.731218 ] [ 0.177888 0.867136 0.771162 ] [ 0.177888 0.132864 0.271162 ] [ 0.822112 0.867136 0.771162 ] [ 0.322112 0.632864 0.271162 ] [ 0.5 0.879091 0.231218 ] [ 0.5 0.120909 0.731218 ] [ 0.677888 0.367136 0.771162 ] [ 0.677888 0.632864 0.271162 ] [ 0.322112 0.367136 0.771162 ] [ 0 0.196954 0.887216 ] [ 0 0.803046 0.387216 ] [ 0.5 0.696954 0.887216 ] [ 0.5 0.303046 0.387216 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.62517868599 "source-unit" "angstrom" } "b" { "source-value" 11.6970760289 "source-unit" "angstrom" } "c" { "source-value" 5.9710212 "source-unit" "angstrom" } }