{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.054178 0.317223 ] [ 0.5 0.445822 0.817223 ] [ 0.5 0.554178 0.182777 ] [ 0.5 0.945822 0.682777 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.173877 0.796688 ] [ 0.5 0.265146 0.047461 ] [ 0.5 0.234854 0.547461 ] [ 0 0.326123 0.296688 ] [ 0 0.673877 0.703312 ] [ 0.5 0.765146 0.452539 ] [ 0.5 0.734854 0.952539 ] [ 0 0.826123 0.203312 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Pb" "Pb" "O" "O" "O" "O" "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" 3.18650334 "source-unit" "angstrom" } "b" { "source-value" 5.36328947 "source-unit" "angstrom" } "c" { "source-value" 9.77307149 "source-unit" "angstrom" } }