{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.074557 0.078397 ] [ 0.75 0.925443 0.921603 ] [ 0.75 0.574557 0.421603 ] [ 0.25 0.425443 0.578397 ] [ 0.25 0.363172 0.291611 ] [ 0.75 0.636828 0.708389 ] [ 0.75 0.863172 0.208389 ] [ 0.25 0.136828 0.791611 ] [ 0.25 0.784269 0.558378 ] [ 0.75 0.215731 0.441622 ] [ 0.75 0.284269 0.941622 ] [ 0.25 0.715731 0.058378 ] [ 0.25 0.080939 0.371783 ] [ 0.75 0.919061 0.628217 ] [ 0.75 0.580939 0.128217 ] [ 0.25 0.419061 0.871783 ] [ 0.25 0.804352 0.810209 ] [ 0.75 0.195648 0.189791 ] [ 0.75 0.304352 0.689791 ] [ 0.25 0.695648 0.310209 ] [ 0.995897 0.389358 0.423444 ] [ 0.495897 0.610642 0.576556 ] [ 0.004103 0.889358 0.076556 ] [ 0.504103 0.110642 0.923444 ] [ 0.004103 0.610642 0.576556 ] [ 0.504103 0.389358 0.423444 ] [ 0.995897 0.110642 0.923444 ] [ 0.495897 0.889358 0.076556 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 6.00099272 "source-unit" "angstrom" } "b" { "source-value" 10.16118611 "source-unit" "angstrom" } "c" { "source-value" 12.52233878 "source-unit" "angstrom" } }