{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.940801 0.480175 0.210326 ] [ 0.059199 0.519825 0.789674 ] [ 0.319708 0.125819 0.604019 ] [ 0.680292 0.874181 0.395981 ] [ 0.385522 0.194052 0.988783 ] [ 0.614478 0.805948 0.011217 ] [ 0.60105 0.563578 0.628096 ] [ 0.39895 0.436422 0.371904 ] [ 0.769355 0.071415 0.780625 ] [ 0.230645 0.928585 0.219375 ] [ 0.890019 0.223708 0.943455 ] [ 0.109981 0.776292 0.056545 ] [ 0.95551 0.934579 0.805193 ] [ 0.04449 0.065421 0.194807 ] [ 0.916761 0.762608 0.633293 ] [ 0.083239 0.237392 0.366707 ] [ 0.650451 0.391579 0.468841 ] [ 0.349549 0.608421 0.531159 ] [ 0.530571 0.484654 0.794039 ] [ 0.469429 0.515346 0.205961 ] [ 0.536216 0.070262 0.224061 ] [ 0.463784 0.929738 0.775939 ] [ 0.846293 0.166753 0.632194 ] [ 0.153707 0.833247 0.367806 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.42543057 "source-unit" "angstrom" } "b" { "source-value" 10.0116204 "source-unit" "angstrom" } "c" { "source-value" 12.1981689 "source-unit" "angstrom" } "alpha" { "source-value" 101.30810904 "source-unit" "degree" } "beta" { "source-value" 89.53086427 "source-unit" "degree" } "gamma" { "source-value" 111.4287981 "source-unit" "degree" } }