{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.987722 0.049453 0.25 ] [ 0.487722 0.450547 0.75 ] [ 0.512278 0.549453 0.25 ] [ 0.012278 0.950547 0.75 ] [ 0.643889 0.079113 0.75 ] [ 0.180658 0.183976 0.573605 ] [ 0.180658 0.183976 0.926395 ] [ 0.680658 0.316024 0.426395 ] [ 0.680658 0.316024 0.073605 ] [ 0.143889 0.420887 0.25 ] [ 0.856111 0.579113 0.75 ] [ 0.319342 0.683976 0.926395 ] [ 0.319342 0.683976 0.573605 ] [ 0.819342 0.816024 0.073605 ] [ 0.819342 0.816024 0.426395 ] [ 0.356111 0.920887 0.25 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Sm" "Sm" "Sm" "Sm" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.82907934 "source-unit" "angstrom" } "b" { "source-value" 6.07813019 "source-unit" "angstrom" } "c" { "source-value" 8.50776506 "source-unit" "angstrom" } }