{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.294345 0.050872 0.019194 ] [ 0.705655 0.050872 0.480806 ] [ 0.705655 0.949128 0.980806 ] [ 0.294345 0.949128 0.519194 ] [ 0 0.155348 0.25 ] [ 0 0.844652 0.75 ] [ 0.794345 0.550872 0.019194 ] [ 0.205655 0.550872 0.480806 ] [ 0.205655 0.449128 0.980806 ] [ 0.794345 0.449128 0.519194 ] [ 0.5 0.655348 0.25 ] [ 0.5 0.344652 0.75 ] [ 0 0.216999 0.75 ] [ 0 0.783001 0.25 ] [ 0.5 0.716999 0.75 ] [ 0.5 0.283001 0.25 ] [ 0.122918 0.220786 0.646794 ] [ 0.877082 0.220786 0.853206 ] [ 0.122918 0.779214 0.146794 ] [ 0.877082 0.779214 0.353206 ] [ 0.622918 0.720786 0.646794 ] [ 0.377082 0.720786 0.853206 ] [ 0.622918 0.279214 0.146794 ] [ 0.377082 0.279214 0.353206 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "B" "B" "B" "B" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.69495503 "source-unit" "angstrom" } "b" { "source-value" 9.35075393 "source-unit" "angstrom" } "c" { "source-value" 9.43387022 "source-unit" "angstrom" } "beta" { "source-value" 110.28856983 "source-unit" "degree" } }