{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.021431 0.81861 ] [ 0.75 0.978569 0.18139 ] [ 0.25 0.521431 0.68139 ] [ 0.75 0.478569 0.31861 ] [ 0.75 0.855837 0.571343 ] [ 0.25 0.644163 0.071343 ] [ 0.75 0.355837 0.928657 ] [ 0.25 0.144163 0.428657 ] [ 0.25 0.274894 0.108429 ] [ 0.75 0.225106 0.608429 ] [ 0.25 0.774894 0.391571 ] [ 0.75 0.725106 0.891571 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32522358 "source-unit" "angstrom" } "b" { "source-value" 8.91054163 "source-unit" "angstrom" } "c" { "source-value" 9.77541945 "source-unit" "angstrom" } }