{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.096665 0.75 ] [ 0.5 0.846495 0.532265 ] [ 0.5 0.153505 0.467735 ] [ 0.5 0.846495 0.967735 ] [ 0.5 0.153505 0.032265 ] [ 0 0.903335 0.25 ] [ 0.5 0.596665 0.75 ] [ 0 0.346495 0.532265 ] [ 0 0.653505 0.467735 ] [ 0 0.346495 0.967735 ] [ 0 0.653505 0.032265 ] [ 0.5 0.403335 0.25 ] [ 0 0.236818 0.25 ] [ 0 0.763182 0.75 ] [ 0.5 0.736818 0.25 ] [ 0.5 0.263182 0.75 ] [ 0.5 0.97353 0.25 ] [ 0.5 0.02647 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.47353 0.25 ] [ 0 0.52647 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.895266 0.75 ] [ 0.266839 0.228982 0.630309 ] [ 0.266839 0.771018 0.369691 ] [ 0.733161 0.228982 0.630309 ] [ 0.733161 0.771018 0.369691 ] [ 0 0.104734 0.25 ] [ 0.266839 0.228982 0.869691 ] [ 0.733161 0.228982 0.869691 ] [ 0.733161 0.771018 0.130309 ] [ 0.266839 0.771018 0.130309 ] [ 0.5 0.395266 0.75 ] [ 0.766839 0.728982 0.630309 ] [ 0.766839 0.271018 0.369691 ] [ 0.233161 0.728982 0.630309 ] [ 0.233161 0.271018 0.369691 ] [ 0.5 0.604734 0.25 ] [ 0.766839 0.728982 0.869691 ] [ 0.233161 0.728982 0.869691 ] [ 0.233161 0.271018 0.130309 ] [ 0.766839 0.271018 0.130309 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "W" "W" "W" "W" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "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" 5.72422972 "source-unit" "angstrom" } "b" { "source-value" 13.27873602 "source-unit" "angstrom" } "c" { "source-value" 11.27935253 "source-unit" "angstrom" } }