{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.568271 0 0.722067 ] [ 0.431729 0 0.277933 ] [ 0.068271 0.5 0.722067 ] [ 0.931729 0.5 0.277933 ] [ 0.094777 0.317768 0.856916 ] [ 0.262711 0 0.285287 ] [ 0.094777 0.682232 0.856916 ] [ 0.905223 0.682232 0.143084 ] [ 0.737289 0 0.714713 ] [ 0.905223 0.317768 0.143084 ] [ 0.594777 0.817768 0.856916 ] [ 0.762711 0.5 0.285287 ] [ 0.594777 0.182232 0.856916 ] [ 0.405223 0.182232 0.143084 ] [ 0.237289 0.5 0.714713 ] [ 0.405223 0.817768 0.143084 ] [ 0 0.740305 0.5 ] [ 0.678221 0 0.268677 ] [ 0.321779 0 0.731323 ] [ 0 0.259695 0.5 ] [ 0.5 0.240305 0.5 ] [ 0.178221 0.5 0.268677 ] [ 0.821779 0.5 0.731323 ] [ 0.5 0.759695 0.5 ] [ 0.891699 0.797371 0.066124 ] [ 0.158544 0 0.282687 ] [ 0.108301 0.202629 0.933876 ] [ 0.108301 0.797371 0.933876 ] [ 0.891699 0.202629 0.066124 ] [ 0.841456 0 0.717313 ] [ 0.391699 0.297371 0.066124 ] [ 0.658544 0.5 0.282687 ] [ 0.608301 0.702629 0.933876 ] [ 0.608301 0.297371 0.933876 ] [ 0.391699 0.702629 0.066124 ] [ 0.341456 0.5 0.717313 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "I" "I" "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" 11.1960017444 "source-unit" "angstrom" } "b" { "source-value" 7.8044198756 "source-unit" "angstrom" } "c" { "source-value" 9.83623357069 "source-unit" "angstrom" } "beta" { "source-value" 107.25426821 "source-unit" "degree" } }