{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.010205 0.813272 ] [ 0.25 0.489795 0.313272 ] [ 0.75 0.510205 0.686728 ] [ 0.25 0.989795 0.186728 ] [ 0.25 0.303754 0.894251 ] [ 0.25 0.803754 0.605749 ] [ 0.75 0.696246 0.105749 ] [ 0.75 0.196246 0.394251 ] [ 0.25 0.653411 0.933449 ] [ 0.25 0.153411 0.566551 ] [ 0.75 0.846589 0.433449 ] [ 0.75 0.346589 0.066551 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31497242 "source-unit" "angstrom" } "b" { "source-value" 7.01027578 "source-unit" "angstrom" } "c" { "source-value" 7.18880567 "source-unit" "angstrom" } }