{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.983115 0.25 0.150945 ] [ 0.016885 0.75 0.849055 ] [ 0.516885 0.25 0.650945 ] [ 0.483115 0.75 0.349055 ] [ 0.514067 0.25 0.894456 ] [ 0.985933 0.25 0.394456 ] [ 0.485307 0.25 0.34387 ] [ 0.514693 0.75 0.65613 ] [ 0.485933 0.75 0.105544 ] [ 0.985307 0.75 0.15613 ] [ 0.014693 0.25 0.84387 ] [ 0.014067 0.75 0.605544 ] [ 0.096985 0.75 0.047946 ] [ 0.903015 0.25 0.952054 ] [ 0 0.5 0.5 ] [ 0.596985 0.25 0.452054 ] [ 0.5 0 0 ] [ 0.403015 0.75 0.547946 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "B" "B" "B" "B" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.24035075 "source-unit" "angstrom" } "b" { "source-value" 5.30916074 "source-unit" "angstrom" } "c" { "source-value" 11.07815883 "source-unit" "angstrom" } }