{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.85032 0.14968 0 ] [ 0.64968 0.64968 0.5 ] [ 0.35032 0.35032 0.5 ] [ 0.14968 0.85032 0 ] [ 0.71154 0.71154 0 ] [ 0.21154 0.78846 0.5 ] [ 0.78846 0.21154 0.5 ] [ 0.28846 0.28846 0 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.887223 0.887223 0.681876 ] [ 0.112777 0.112777 0.681876 ] [ 0.612777 0.387223 0.181876 ] [ 0.387223 0.612777 0.181876 ] [ 0.887223 0.887223 0.318124 ] [ 0.387223 0.612777 0.818124 ] [ 0.612777 0.387223 0.818124 ] [ 0.112777 0.112777 0.318124 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.71659373 "source-unit" "angstrom" } "c" { "source-value" 8.73377638 "source-unit" "angstrom" } }