{ "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" [ [ 0.25 0.984541 0.173941 ] [ 0.75 0.874578 0.405473 ] [ 0.75 0.374578 0.094527 ] [ 0.25 0.625422 0.905473 ] [ 0.25 0.125422 0.594527 ] [ 0.75 0.515459 0.673941 ] [ 0.75 0.015459 0.826059 ] [ 0.25 0.484541 0.326059 ] [ 0.25 0.725595 0.577576 ] [ 0.75 0.774405 0.077576 ] [ 0.25 0.225595 0.922424 ] [ 0.75 0.274405 0.422424 ] [ 0.25 0.319328 0.087178 ] [ 0.998166 0.316191 0.841836 ] [ 0.998166 0.816191 0.658164 ] [ 0.001834 0.683809 0.158164 ] [ 0.501834 0.316191 0.841836 ] [ 0.25 0.98117 0.916534 ] [ 0.75 0.51883 0.416534 ] [ 0.501834 0.816191 0.658164 ] [ 0.25 0.48117 0.583466 ] [ 0.75 0.680672 0.912822 ] [ 0.498166 0.183809 0.341836 ] [ 0.25 0.819328 0.412822 ] [ 0.75 0.180672 0.587178 ] [ 0.498166 0.683809 0.158164 ] [ 0.75 0.01883 0.083466 ] [ 0.001834 0.183809 0.341836 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.82895838 "source-unit" "angstrom" } "b" { "source-value" 9.89086702 "source-unit" "angstrom" } "c" { "source-value" 13.73107106 "source-unit" "angstrom" } }