{ "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" [ [ 0.499777 0.168941 0.627063 ] [ 0 0 0 ] [ 0.500223 0.831059 0.372937 ] [ 0 0.5 0.5 ] [ 0.867622 0.297601 0.783333 ] [ 0.624688 0.518452 0.387161 ] [ 0.250513 0.987458 0.850792 ] [ 0.21213 0.905829 0.496903 ] [ 0.78787 0.094171 0.503097 ] [ 0.749487 0.012542 0.149208 ] [ 0.375312 0.481548 0.612839 ] [ 0.132378 0.702399 0.216667 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.10478956 "source-unit" "angstrom" } "b" { "source-value" 6.54411319 "source-unit" "angstrom" } "c" { "source-value" 8.90829532 "source-unit" "angstrom" } "alpha" { "source-value" 111.05479494 "source-unit" "degree" } "beta" { "source-value" 84.37851443 "source-unit" "degree" } "gamma" { "source-value" 114.26620059 "source-unit" "degree" } }