{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.351978 0.279017 0.604353 ] [ 0.351978 0.220983 0.104353 ] [ 0.648022 0.779017 0.895647 ] [ 0.648022 0.720983 0.395647 ] [ 0.165599 0.767121 0.805084 ] [ 0.165599 0.732879 0.305084 ] [ 0.834401 0.267121 0.694916 ] [ 0.834401 0.232879 0.194916 ] [ 0.059624 0.094032 0.698897 ] [ 0.059624 0.405968 0.198897 ] [ 0.172083 0.642351 0.557603 ] [ 0.172083 0.857649 0.057603 ] [ 0.328836 0.501794 0.873632 ] [ 0.385959 0.985745 0.827961 ] [ 0.328836 0.998206 0.373632 ] [ 0.385959 0.514255 0.327961 ] [ 0.614041 0.485745 0.672039 ] [ 0.671164 0.001794 0.626368 ] [ 0.614041 0.014255 0.172039 ] [ 0.671164 0.498206 0.126368 ] [ 0.827917 0.142351 0.942397 ] [ 0.827917 0.357649 0.442397 ] [ 0.940376 0.594032 0.801103 ] [ 0.940376 0.905968 0.301103 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "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" 7.67265975 "source-unit" "angstrom" } "b" { "source-value" 5.45777473 "source-unit" "angstrom" } "c" { "source-value" 7.7137929 "source-unit" "angstrom" } "beta" { "source-value" 99.61598227 "source-unit" "degree" } }