{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.052267 0.315454 ] [ 0.5 0.447733 0.815454 ] [ 0.5 0.552267 0.184546 ] [ 0.5 0.947733 0.684546 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.168141 0.803609 ] [ 0.5 0.250865 0.050803 ] [ 0.5 0.249135 0.550803 ] [ 0 0.331859 0.303609 ] [ 0 0.668141 0.696391 ] [ 0.5 0.750865 0.449197 ] [ 0.5 0.749135 0.949197 ] [ 0 0.831859 0.196391 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Sn" "Sn" "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" 3.09698001 "source-unit" "angstrom" } "b" { "source-value" 5.23957767 "source-unit" "angstrom" } "c" { "source-value" 9.61886213 "source-unit" "angstrom" } }