{ "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 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.25 0.796879 0.737609 ] [ 0.25 0.296879 0.762391 ] [ 0.75 0.703121 0.237609 ] [ 0.75 0.203121 0.262391 ] [ 0.25 0.538224 0.149213 ] [ 0.75 0.461776 0.850787 ] [ 0.25 0.038224 0.350787 ] [ 0.75 0.961776 0.649213 ] [ 0.75 0.279345 0.406939 ] [ 0.549945 0.662567 0.311471 ] [ 0.450055 0.837433 0.811471 ] [ 0.950055 0.162567 0.188529 ] [ 0.25 0.220655 0.906939 ] [ 0.049945 0.337433 0.688529 ] [ 0.75 0.779345 0.093061 ] [ 0.25 0.720655 0.593061 ] [ 0.25 0.890881 0.103187 ] [ 0.75 0.109119 0.896813 ] [ 0.950055 0.662567 0.311471 ] [ 0.75 0.609119 0.603187 ] [ 0.049945 0.837433 0.811471 ] [ 0.549945 0.162567 0.188529 ] [ 0.450055 0.337433 0.688529 ] [ 0.25 0.390881 0.396813 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.07446994 "source-unit" "angstrom" } "b" { "source-value" 6.81219384 "source-unit" "angstrom" } "c" { "source-value" 8.75935056 "source-unit" "angstrom" } }