{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.245652 0.042946 0.628099 ] [ 0.745652 0.457054 0.871901 ] [ 0.754348 0.542946 0.371901 ] [ 0.254348 0.957054 0.128099 ] [ 0.245652 0.457054 0.628099 ] [ 0.754348 0.957054 0.371901 ] [ 0.767784 0.25 0.128709 ] [ 0.267784 0.25 0.371291 ] [ 0.232216 0.75 0.871291 ] [ 0.732216 0.75 0.628709 ] [ 0.254348 0.542946 0.128099 ] [ 0.745652 0.042946 0.871901 ] [ 0.341876 0.25 0.951649 ] [ 0.841876 0.25 0.548351 ] [ 0.658124 0.75 0.048351 ] [ 0.158124 0.75 0.451649 ] [ 0.236338 0.75 0.636262 ] [ 0.736338 0.75 0.863738 ] [ 0.763662 0.25 0.363738 ] [ 0.263662 0.25 0.136262 ] [ 0.236834 0.451538 0.876268 ] [ 0.736834 0.048462 0.623732 ] [ 0.236834 0.048462 0.876268 ] [ 0.736834 0.451538 0.623732 ] [ 0.763166 0.548462 0.123732 ] [ 0.263166 0.548462 0.376268 ] [ 0.263166 0.951538 0.376268 ] [ 0.763166 0.951538 0.123732 ] [ 0.63461 0.25 0.945468 ] [ 0.13461 0.25 0.554532 ] [ 0.36539 0.75 0.054532 ] [ 0.86539 0.75 0.445468 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ta" "Ta" "Ta" "Ta" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "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" 6.45376414 "source-unit" "angstrom" } "b" { "source-value" 10.78407009 "source-unit" "angstrom" } "c" { "source-value" 13.08003677 "source-unit" "angstrom" } }