{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.648702 0.815452 ] [ 0.5 0.351298 0.184548 ] [ 0.5 0.148702 0.684548 ] [ 0.5 0.851298 0.315452 ] [ 0.5 0.85213 0.602533 ] [ 0.5 0.14787 0.397467 ] [ 0.5 0.35213 0.897467 ] [ 0.5 0.64787 0.102533 ] [ 0.5 0.959816 0.911275 ] [ 0.5 0.040184 0.088725 ] [ 0.5 0.459816 0.588725 ] [ 0.5 0.540184 0.411275 ] [ 0 0.395592 0.738117 ] [ 0 0.604408 0.261883 ] [ 0 0.895592 0.761883 ] [ 0 0.104408 0.238117 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.655895 0.547961 ] [ 0 0.344105 0.452039 ] [ 0 0.155895 0.952039 ] [ 0 0.844105 0.047961 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.96324423 "source-unit" "angstrom" } "b" { "source-value" 8.43703872 "source-unit" "angstrom" } "c" { "source-value" 10.06579296 "source-unit" "angstrom" } }