{ "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" [ [ 0.400706 0.281185 0.210844 ] [ 0.599294 0.718815 0.789156 ] [ 0 0.5 0 ] [ 0.151219 0.736047 0.25899 ] [ 0.732737 0.806139 0.257987 ] [ 0.267263 0.193861 0.742013 ] [ 0.848781 0.263953 0.74101 ] [ 0.245396 0.965208 0.039128 ] [ 0.877379 0.177125 0.211235 ] [ 0.881458 0.309771 0.352097 ] [ 0.414612 0.733339 0.423698 ] [ 0.585388 0.266661 0.576302 ] [ 0.118542 0.690229 0.647903 ] [ 0.122621 0.822875 0.788765 ] [ 0.754604 0.034792 0.960872 ] [ 0.182727 0.616558 0.111365 ] [ 0.746514 0.656111 0.144496 ] [ 0.754332 0.998556 0.156963 ] [ 0.25013 0.926197 0.171295 ] [ 0.941091 0.287161 0.222627 ] [ 0.908988 0.775349 0.3557 ] [ 0.227734 0.659479 0.416031 ] [ 0.539142 0.792593 0.436045 ] [ 0.460858 0.207407 0.563955 ] [ 0.772266 0.340521 0.583969 ] [ 0.091012 0.224651 0.6443 ] [ 0.058909 0.712839 0.777373 ] [ 0.74987 0.073803 0.828705 ] [ 0.245668 0.001444 0.843037 ] [ 0.253486 0.343889 0.855504 ] [ 0.817273 0.383442 0.888635 ] ] } "species" { "source-value" [ "Rb" "Rb" "Mg" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.96375472 "source-unit" "angstrom" } "b" { "source-value" 7.4652369 "source-unit" "angstrom" } "c" { "source-value" 7.81979807 "source-unit" "angstrom" } "alpha" { "source-value" 81.2700529 "source-unit" "degree" } "beta" { "source-value" 70.29679773 "source-unit" "degree" } "gamma" { "source-value" 85.62637631 "source-unit" "degree" } }