{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.618612 0.5 0.680667 ] [ 0.297476 0 0.901716 ] [ 0.99063 0 0.994676 ] [ 0.015249 0.5 0.01688 ] [ 0.490793 0 0.633886 ] [ 0.375865 0.5 0.879672 ] [ 0.149855 0.5 0.483695 ] [ 0.110741 0 0.485161 ] [ 0.843071 0.22988 0.569419 ] [ 0.843071 0.77012 0.569419 ] [ 0.714214 0.288402 0.137313 ] [ 0.714214 0.711598 0.137313 ] [ 0.42553 0.244997 0.28236 ] [ 0.42553 0.755003 0.28236 ] [ 0.860002 0.288949 0.780088 ] [ 0.860002 0.711051 0.780088 ] [ 0.486561 0.76954 0.919593 ] [ 0.486561 0.23046 0.919593 ] [ 0.210478 0.231638 0.083989 ] [ 0.210478 0.768362 0.083989 ] [ 0.430968 0.257442 0.518756 ] [ 0.430968 0.742558 0.518756 ] [ 0.087667 0.263843 0.575122 ] [ 0.087667 0.736157 0.575122 ] [ 0.987524 0 0.699719 ] [ 0.147116 0.5 0.837028 ] [ 0.898714 0.233773 0.100739 ] [ 0.898714 0.766227 0.100739 ] [ 0.86646 0 0.338137 ] [ 0.906936 0.5 0.323884 ] [ 0.641161 0 0.529809 ] [ 0.724727 0.5 0.492616 ] [ 0.686422 0 0.846356 ] [ 0.694001 0.5 0.993453 ] [ 0.465259 0 0.205212 ] [ 0.469431 0.5 0.126058 ] [ 0.182931 0 0.315722 ] [ 0.2169 0.5 0.305494 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 11.72150405 "source-unit" "angstrom" } "b" { "source-value" 10.18739165 "source-unit" "angstrom" } "c" { "source-value" 11.943296 "source-unit" "angstrom" } "beta" { "source-value" 118.6653808 "source-unit" "degree" } }