{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.655842 0.819982 0.937184 ] [ 0.155842 0.680018 0.062816 ] [ 0.844158 0.319982 0.562816 ] [ 0.344158 0.180018 0.437184 ] [ 0.866729 0.027955 0.25 ] [ 0.366729 0.472045 0.75 ] [ 0.633271 0.527955 0.25 ] [ 0.133271 0.972045 0.75 ] [ 0.655842 0.819982 0.562816 ] [ 0.155842 0.680018 0.437184 ] [ 0.844158 0.319982 0.937184 ] [ 0.344158 0.180018 0.062816 ] [ 0.560706 0.118324 0.75 ] [ 0.060706 0.381676 0.25 ] [ 0.939294 0.618324 0.75 ] [ 0.439294 0.881676 0.25 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.38439698 "source-unit" "angstrom" } "b" { "source-value" 5.17722114 "source-unit" "angstrom" } "c" { "source-value" 6.62045902 "source-unit" "angstrom" } }