{ "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 0.859701 0.441562 ] [ 0.25 0.140299 0.558438 ] [ 0.75 0.359701 0.058438 ] [ 0.25 0.640299 0.941562 ] [ 0.25 0.528098 0.325727 ] [ 0.75 0.471902 0.674273 ] [ 0.25 0.028098 0.174273 ] [ 0.75 0.971902 0.825727 ] [ 0.25 0.272668 0.872674 ] [ 0.75 0.727332 0.127326 ] [ 0.25 0.772668 0.627326 ] [ 0.75 0.227332 0.372674 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.58868912 "source-unit" "angstrom" } "b" { "source-value" 6.18586169 "source-unit" "angstrom" } "c" { "source-value" 7.16927524 "source-unit" "angstrom" } }