{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.693646 0.89261 0.127207 ] [ 0.826155 0.356721 0.651991 ] [ 0.531299 0.000071 0.782051 ] [ 0.586999 0.25 0.489354 ] [ 0.173845 0.856721 0.348009 ] [ 0.310969 0.75 0.088979 ] [ 0.468701 0.999929 0.217949 ] [ 0.173845 0.643279 0.348009 ] [ 0.282749 0.100811 0.621158 ] [ 0.282749 0.399189 0.621158 ] [ 0.306354 0.10739 0.872793 ] [ 0.306354 0.39261 0.872793 ] [ 0.413001 0.75 0.510646 ] [ 0.468701 0.500071 0.217949 ] [ 0.689031 0.25 0.911021 ] [ 0.717251 0.899189 0.378842 ] [ 0.531299 0.499929 0.782051 ] [ 0.826155 0.143279 0.651991 ] [ 0.693646 0.60739 0.127207 ] [ 0.717251 0.600811 0.378842 ] [ 0.409671 0.396373 0.762602 ] [ 0.711646 0.25 0.631664 ] [ 0.590329 0.896373 0.237398 ] [ 0.590329 0.603627 0.237398 ] [ 0.288354 0.75 0.368336 ] [ 0.409671 0.103627 0.762602 ] [ 0.035144 0.25 0.197451 ] [ 0.964856 0.75 0.802549 ] [ 0.562581 0.25 0.776419 ] [ 0.437419 0.75 0.223581 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "I" "I" "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" 5.61962308952 "source-unit" "angstrom" } "b" { "source-value" 8.4428697 "source-unit" "angstrom" } "c" { "source-value" 7.24876906174 "source-unit" "angstrom" } "beta" { "source-value" 104.116232 "source-unit" "degree" } }