{ "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" [ [ 0.199989 0.267591 0.18863 ] [ 0.800011 0.732409 0.81137 ] [ 0.5 0 0.5 ] [ 0.882401 0.687879 0.283614 ] [ 0.117599 0.312121 0.716386 ] [ 0.738518 0.787931 0.497308 ] [ 0.208626 0.692183 0.344482 ] [ 0.714559 0.400872 0.182123 ] [ 0.791374 0.307817 0.655518 ] [ 0.897317 0.86363 0.146572 ] [ 0.102683 0.13637 0.853428 ] [ 0.261482 0.212069 0.502692 ] [ 0.285441 0.599128 0.817877 ] ] } "species" { "source-value" [ "Na" "Na" "Pd" "Se" "Se" "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" 5.04166305898 "source-unit" "angstrom" } "b" { "source-value" 6.13614236076 "source-unit" "angstrom" } "c" { "source-value" 7.35018036301 "source-unit" "angstrom" } "alpha" { "source-value" 106.489679998 "source-unit" "degree" } "beta" { "source-value" 86.6446522787 "source-unit" "degree" } "gamma" { "source-value" 109.20140877 "source-unit" "degree" } }