{ "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" [ [ 0.75 0.844583 0.049149 ] [ 0.25 0.155417 0.950851 ] [ 0.75 0.344583 0.450851 ] [ 0.25 0.655417 0.549149 ] [ 0.75 0.443614 0.833794 ] [ 0.25 0.556386 0.166206 ] [ 0.75 0.943614 0.666206 ] [ 0.25 0.056386 0.333794 ] [ 0.25 0.513945 0.395522 ] [ 0.75 0.486055 0.604478 ] [ 0.25 0.013945 0.104478 ] [ 0.75 0.986055 0.895522 ] [ 0.25 0.679903 0.99447 ] [ 0.75 0.320097 0.00553 ] [ 0.25 0.179903 0.50553 ] [ 0.75 0.820097 0.49447 ] [ 0.75 0.738155 0.211619 ] [ 0.25 0.261845 0.788381 ] [ 0.75 0.238155 0.288381 ] [ 0.25 0.761845 0.711619 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Sn" "Sn" "Sn" "Sn" "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" 3.71703667 "source-unit" "angstrom" } "b" { "source-value" 9.50240027 "source-unit" "angstrom" } "c" { "source-value" 14.26097291 "source-unit" "angstrom" } }