{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.875514 0 ] [ 0.75 0.624486 0.5 ] [ 0.75 0.873458 0.335685 ] [ 0.25 0.126542 0.335685 ] [ 0.75 0.626542 0.164315 ] [ 0.25 0.373458 0.164315 ] [ 0.25 0.375514 0.5 ] [ 0.25 0.124486 0 ] [ 0.25 0.373458 0.835685 ] [ 0.75 0.626542 0.835685 ] [ 0.25 0.126542 0.664315 ] [ 0.75 0.873458 0.664315 ] [ 0.25 0.91757 0.5 ] [ 0.25 0.58243 0 ] [ 0.75 0.41757 0 ] [ 0.75 0.08243 0.5 ] [ 0.25 0.712479 0.393933 ] [ 0.25 0.787521 0.106067 ] [ 0.25 0.75 0.25 ] [ 0.75 0.287521 0.393933 ] [ 0 0 0.18479 ] [ 0.75 0.212479 0.106067 ] [ 0.5 0.5 0.31521 ] [ 0.5 0 0.18479 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0.31521 ] [ 0.75 0.212479 0.893933 ] [ 0.75 0.287521 0.606067 ] [ 0.75 0.25 0.75 ] [ 0.25 0.787521 0.893933 ] [ 0.5 0.5 0.68479 ] [ 0.25 0.712479 0.606067 ] [ 0 0 0.81521 ] [ 0 0.5 0.68479 ] [ 0.25 0.75 0.75 ] [ 0.5 0 0.81521 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Pb" "Pb" "Pb" "Pb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.77137273867 "source-unit" "angstrom" } "b" { "source-value" 8.62975554437 "source-unit" "angstrom" } "c" { "source-value" 20.0372229814 "source-unit" "angstrom" } }