{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P22_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.922677 0 0 ] [ 0.077323 0.5 0.5 ] [ 0.259015 0 0.5 ] [ 0.740985 0.5 0 ] [ 0.751772 0 0.5 ] [ 0.248228 0.5 0 ] [ 0.872615 0.785557 0.700302 ] [ 0.36417 0.672447 0.771057 ] [ 0.36417 0.327553 0.228943 ] [ 0.127385 0.714443 0.200302 ] [ 0.127385 0.285557 0.799698 ] [ 0.872615 0.214443 0.299698 ] [ 0.63583 0.827553 0.271057 ] [ 0.63583 0.172447 0.728943 ] [ 0.911732 0.135215 0.413447 ] [ 0.672367 0.23953 0.83921 ] [ 0.672367 0.76047 0.16079 ] [ 0.155948 0.791085 0.307612 ] [ 0.327633 0.26047 0.33921 ] [ 0.327633 0.73953 0.66079 ] [ 0.088268 0.635215 0.086553 ] [ 0.155948 0.208915 0.692388 ] [ 0.593221 0.099967 0.612827 ] [ 0.844052 0.291085 0.192388 ] [ 0.844052 0.708915 0.807612 ] [ 0.088268 0.364785 0.913447 ] [ 0.406779 0.400033 0.112827 ] [ 0.593221 0.900033 0.387173 ] [ 0.406779 0.599967 0.887173 ] [ 0.911732 0.864785 0.586553 ] ] } "species" { "source-value" [ "K" "K" "La" "La" "Si" "Si" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 6.97652378 "source-unit" "angstrom" } "b" { "source-value" 7.66816117 "source-unit" "angstrom" } "c" { "source-value" 9.52587683 "source-unit" "angstrom" } }