{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1mn" } "basis-atom-coordinates" { "source-value" [ [ 0.242538 0 0.132439 ] [ 0.742538 0.5 0.867561 ] [ 0.754173 0.5 0.324069 ] [ 0.254173 0 0.675931 ] [ 0.668426 0 0.467156 ] [ 0.168426 0.5 0.532844 ] [ 0.629585 0.250145 0.779603 ] [ 0.129585 0.750145 0.220397 ] [ 0.631739 0.5 0.041699 ] [ 0.613264 0 0.133412 ] [ 0.629585 0.749855 0.779603 ] [ 0.129585 0.249855 0.220397 ] [ 0.131739 0 0.958301 ] [ 0.113264 0.5 0.866588 ] ] } "species" { "source-value" [ "Re" "Re" "Pb" "Pb" "Cl" "Cl" "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" 4.68451456 "source-unit" "angstrom" } "b" { "source-value" 5.83482389 "source-unit" "angstrom" } "c" { "source-value" 9.60144949 "source-unit" "angstrom" } }