{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.972558 0.098257 0 ] [ 0.472558 0.901743 0.5 ] [ 0.521897 0.658199 0 ] [ 0.021897 0.341801 0.5 ] [ 0.614987 0.334945 0 ] [ 0.183536 0.697503 0 ] [ 0.667549 0.824766 0.212501 ] [ 0.167549 0.175234 0.287499 ] [ 0.683536 0.302497 0.5 ] [ 0.114987 0.665055 0.5 ] [ 0.167549 0.175234 0.712501 ] [ 0.667549 0.824766 0.787499 ] ] } "species" { "source-value" [ "Zn" "Zn" "Se" "Se" "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" 4.87042614 "source-unit" "angstrom" } "b" { "source-value" 4.92332116 "source-unit" "angstrom" } "c" { "source-value" 6.17322232 "source-unit" "angstrom" } }