{ "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 0.5 0.5 ] [ 0.457949 0.165293 0.800332 ] [ 0.542051 0.834707 0.199668 ] [ 0 0 0 ] [ 0.676081 0.709669 0.831584 ] [ 0.323919 0.290331 0.168416 ] [ 0.100707 0.901721 0.246924 ] [ 0.899293 0.098279 0.753076 ] [ 0.493509 0.555088 0.754233 ] [ 0.506491 0.444912 0.245767 ] [ 0.154398 0.84301 0.380722 ] [ 0.845602 0.15699 0.619278 ] [ 0.156285 0.863814 0.890451 ] [ 0.843715 0.136186 0.109549 ] ] } "species" { "source-value" [ "K" "K" "K" "Re" "C" "C" "C" "C" "N" "N" "N" "N" "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" 6.47069773 "source-unit" "angstrom" } "b" { "source-value" 7.03899958 "source-unit" "angstrom" } "c" { "source-value" 7.57400352 "source-unit" "angstrom" } "alpha" { "source-value" 106.8070235 "source-unit" "degree" } "beta" { "source-value" 110.8649827 "source-unit" "degree" } "gamma" { "source-value" 105.24529978 "source-unit" "degree" } }