{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.751068 0.75 ] [ 0 0.248932 0.25 ] [ 0.5 0.251068 0.75 ] [ 0.5 0.748932 0.25 ] [ 0 0.891139 0.25 ] [ 0 0.108861 0.75 ] [ 0.5 0.859358 0.574971 ] [ 0.5 0.140642 0.425029 ] [ 0.5 0.859358 0.925029 ] [ 0.5 0.140642 0.074971 ] [ 0.5 0.391139 0.25 ] [ 0.5 0.608861 0.75 ] [ 0 0.359358 0.574971 ] [ 0 0.640642 0.425029 ] [ 0 0.359358 0.925029 ] [ 0 0.640642 0.074971 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Pr" "Pr" "Pr" "Pr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.14541786 "source-unit" "angstrom" } "b" { "source-value" 14.53461948 "source-unit" "angstrom" } "c" { "source-value" 9.30085475 "source-unit" "angstrom" } }