{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.147554 0.702089 0.222014 ] [ 0.225585 0.326475 0.529753 ] [ 0.315629 0.259822 0.797732 ] [ 0.998923 0.606044 0.531729 ] [ 0.226232 0.750791 0.933685 ] [ 0.012508 0.086603 0.507126 ] [ 0.443888 0.423968 0.239165 ] [ 0.607427 0.856495 0.24069 ] ] } "species" { "source-value" [ "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.8655413607 "source-unit" "angstrom" } "b" { "source-value" 7.52402602899 "source-unit" "angstrom" } "c" { "source-value" 7.67057753618 "source-unit" "angstrom" } "alpha" { "source-value" 77.9612779192 "source-unit" "degree" } "beta" { "source-value" 78.4014503069 "source-unit" "degree" } "gamma" { "source-value" 84.6877051583 "source-unit" "degree" } }