{ "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" [ [ 0.943371 0.381332 0.25 ] [ 0.443371 0.118668 0.75 ] [ 0.556629 0.881332 0.25 ] [ 0.056629 0.618668 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.334124 0.820748 0.942054 ] [ 0.165876 0.320748 0.942054 ] [ 0.665876 0.179252 0.057946 ] [ 0.334124 0.820748 0.557946 ] [ 0.145272 0.041655 0.25 ] [ 0.645272 0.458345 0.75 ] [ 0.354728 0.541655 0.25 ] [ 0.854728 0.958345 0.75 ] [ 0.165876 0.320748 0.557946 ] [ 0.665876 0.179252 0.442054 ] [ 0.834124 0.679252 0.057946 ] [ 0.834124 0.679252 0.442054 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.10344248 "source-unit" "angstrom" } "b" { "source-value" 7.06934737 "source-unit" "angstrom" } "c" { "source-value" 8.86798416 "source-unit" "angstrom" } }