{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.464084 0.75 0.995805 ] [ 0.964084 0.25 0.504195 ] [ 0.535916 0.25 0.004195 ] [ 0.035916 0.75 0.495805 ] [ 0.654526 0.75 0.708129 ] [ 0.154526 0.25 0.791871 ] [ 0.345474 0.25 0.291871 ] [ 0.845474 0.75 0.208129 ] [ 0.317377 0.75 0.271109 ] [ 0.817377 0.25 0.228891 ] [ 0.682623 0.25 0.728891 ] [ 0.182623 0.75 0.771109 ] [ 0.305691 0.457858 0.576754 ] [ 0.805691 0.542142 0.923246 ] [ 0.694309 0.957858 0.423246 ] [ 0.194309 0.042142 0.076754 ] [ 0.694309 0.542142 0.423246 ] [ 0.194309 0.457858 0.076754 ] [ 0.305691 0.042142 0.576754 ] [ 0.805691 0.957858 0.923246 ] [ 0.437057 0.011593 0.828663 ] [ 0.937057 0.988407 0.671337 ] [ 0.562943 0.511593 0.171337 ] [ 0.062943 0.488407 0.328663 ] [ 0.562943 0.988407 0.171337 ] [ 0.062943 0.011593 0.328663 ] [ 0.437057 0.488407 0.828663 ] [ 0.937057 0.511593 0.671337 ] [ 0.077861 0.75 0.01595 ] [ 0.577861 0.25 0.48405 ] [ 0.922139 0.25 0.98405 ] [ 0.422139 0.75 0.51595 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.26793911 "source-unit" "angstrom" } "b" { "source-value" 9.57970825 "source-unit" "angstrom" } "c" { "source-value" 12.51976073 "source-unit" "angstrom" } }