{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.829466 0.75 0.90781 ] [ 0.170534 0.25 0.09219 ] [ 0.680233 0.75 0.133846 ] [ 0.319767 0.25 0.866154 ] [ 0.261886 0.75 0.49102 ] [ 0.738114 0.25 0.50898 ] [ 0.808319 0.392898 0.421482 ] [ 0.191681 0.892898 0.578518 ] [ 0.437818 0.25 0.105667 ] [ 0.562182 0.75 0.894333 ] [ 0.150833 0.09356 0.917284 ] [ 0.849167 0.59356 0.082716 ] [ 0.849167 0.90644 0.082716 ] [ 0.150833 0.40644 0.917284 ] [ 0.202683 0.25 0.636469 ] [ 0.797317 0.75 0.363531 ] [ 0.479396 0.101166 0.817815 ] [ 0.520604 0.601166 0.182185 ] [ 0.520604 0.898834 0.182185 ] [ 0.479396 0.398834 0.817815 ] [ 0.915586 0.25 0.072068 ] [ 0.084414 0.75 0.927932 ] [ 0.190567 0.102395 0.26162 ] [ 0.809433 0.602395 0.73838 ] [ 0.809433 0.897605 0.73838 ] [ 0.190567 0.397605 0.26162 ] [ 0.811698 0.25 0.707406 ] [ 0.188302 0.75 0.292594 ] [ 0.522897 0.25 0.480436 ] [ 0.477103 0.75 0.519564 ] [ 0.808319 0.107102 0.421482 ] [ 0.191681 0.607102 0.578518 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 9.1853934056 "source-unit" "angstrom" } "b" { "source-value" 11.17189989 "source-unit" "angstrom" } "c" { "source-value" 9.73153248934 "source-unit" "angstrom" } "beta" { "source-value" 98.327021631 "source-unit" "degree" } }