{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.162366 0.679842 ] [ 0.75 0.837634 0.320158 ] [ 0.75 0.662366 0.820158 ] [ 0.25 0.337634 0.179842 ] [ 0.25 0.689215 0.56755 ] [ 0.75 0.310785 0.43245 ] [ 0.75 0.189215 0.93245 ] [ 0.25 0.810785 0.06755 ] [ 0.25 0.545258 0.716787 ] [ 0.75 0.454742 0.283213 ] [ 0.75 0.045258 0.783213 ] [ 0.25 0.954742 0.216787 ] [ 0.25 0.576234 0.401668 ] [ 0.75 0.423766 0.598332 ] [ 0.75 0.076234 0.098332 ] [ 0.25 0.923766 0.901668 ] [ 0.003633 0.825336 0.58125 ] [ 0.503633 0.174664 0.41875 ] [ 0.996367 0.325336 0.91875 ] [ 0.496367 0.674664 0.08125 ] [ 0.996367 0.174664 0.41875 ] [ 0.496367 0.825336 0.58125 ] [ 0.003633 0.674664 0.08125 ] [ 0.503633 0.325336 0.91875 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.27898368 "source-unit" "angstrom" } "b" { "source-value" 9.53221267 "source-unit" "angstrom" } "c" { "source-value" 11.5469861 "source-unit" "angstrom" } }