{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.031562 0.834547 ] [ 0.5 0.965427 0 ] [ 0 0.466397 0.167896 ] [ 0.5 0.031562 0.165453 ] [ 0 0.466397 0.832104 ] [ 0 0.532454 0 ] [ 0 0.531562 0.334547 ] [ 0 0.465427 0.5 ] [ 0.5 0.966397 0.667896 ] [ 0 0.531562 0.665453 ] [ 0.5 0.966397 0.332104 ] [ 0.5 0.032454 0.5 ] [ 0 0.162515 0.067904 ] [ 0 0.835213 0.764946 ] [ 0 0.835213 0.235054 ] [ 0.5 0.663979 0.905934 ] [ 0.5 0.663979 0.094066 ] [ 0 0.162515 0.932096 ] [ 0.5 0.662515 0.567904 ] [ 0.5 0.335213 0.264946 ] [ 0.5 0.335213 0.735054 ] [ 0 0.163979 0.405934 ] [ 0 0.163979 0.594066 ] [ 0.5 0.662515 0.432096 ] [ 0.5 0.333062 0.92347 ] [ 0.5 0.664248 0.76229 ] [ 0.5 0.664248 0.23771 ] [ 0 0.834139 0.100364 ] [ 0.5 0.333062 0.07653 ] [ 0 0.834139 0.899636 ] [ 0 0.833062 0.42347 ] [ 0 0.164248 0.26229 ] [ 0 0.164248 0.73771 ] [ 0.5 0.334139 0.600364 ] [ 0 0.833062 0.57653 ] [ 0.5 0.334139 0.399636 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 4.76325483855 "source-unit" "angstrom" } "b" { "source-value" 8.23122047461 "source-unit" "angstrom" } "c" { "source-value" 21.9992811927 "source-unit" "angstrom" } }