{ "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" [ [ 0.82821 0.812186 0.256073 ] [ 0.17179 0.187814 0.743927 ] [ 0.796978 0.251892 0.000276 ] [ 0.203022 0.748108 0.999724 ] [ 0.814314 0.601065 0.6286 ] [ 0.185686 0.398935 0.3714 ] [ 0.624376 0.284729 0.123694 ] [ 0.735758 0.857307 0.596019 ] [ 0.264242 0.142693 0.403981 ] [ 0.375624 0.715271 0.876306 ] [ 0.137913 0.587942 0.348482 ] [ 0.915723 0.225033 0.907402 ] [ 0.084277 0.774967 0.092598 ] [ 0.862087 0.412058 0.651518 ] ] } "species" { "source-value" [ "Sn" "Sn" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01525381341 "source-unit" "angstrom" } "b" { "source-value" 5.74034369904 "source-unit" "angstrom" } "c" { "source-value" 10.4070934711 "source-unit" "angstrom" } "alpha" { "source-value" 100.511487834 "source-unit" "degree" } "beta" { "source-value" 96.6462753377 "source-unit" "degree" } "gamma" { "source-value" 93.0060148731 "source-unit" "degree" } }