{ "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" [ [ 0.25 0.511273 0.334424 ] [ 0.75 0.488727 0.665576 ] [ 0.25 0.011273 0.165576 ] [ 0.75 0.988727 0.834424 ] [ 0.916186 0.134714 0.464817 ] [ 0.416186 0.865286 0.535183 ] [ 0.583814 0.634714 0.035183 ] [ 0.083814 0.365286 0.964817 ] [ 0.083814 0.865286 0.535183 ] [ 0.916186 0.634714 0.035183 ] [ 0.416186 0.365286 0.964817 ] [ 0.583814 0.134714 0.464817 ] [ 0.75 0.819395 0.318344 ] [ 0.75 0.319395 0.181656 ] [ 0.25 0.180605 0.681656 ] [ 0.25 0.680605 0.818344 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.26288106 "source-unit" "angstrom" } "b" { "source-value" 5.82985811 "source-unit" "angstrom" } "c" { "source-value" 6.28854201 "source-unit" "angstrom" } }