{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.131904 0.170175 ] [ 0.75 0.631904 0.329825 ] [ 0.25 0.368096 0.670175 ] [ 0.75 0.868096 0.829825 ] [ 0.25 0.376976 0.391847 ] [ 0.25 0.880563 0.377536 ] [ 0.75 0.380563 0.122464 ] [ 0.25 0.619437 0.877536 ] [ 0.25 0.123024 0.891847 ] [ 0.75 0.876976 0.108153 ] [ 0.75 0.119437 0.622464 ] [ 0.75 0.623024 0.608153 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01549569 "source-unit" "angstrom" } "b" { "source-value" 8.50097665 "source-unit" "angstrom" } "c" { "source-value" 12.53623295 "source-unit" "angstrom" } }