{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.489593 0.05406 0.25 ] [ 0.010407 0.55406 0.25 ] [ 0.989593 0.44594 0.75 ] [ 0.510407 0.94594 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.223751 0.303823 0.455904 ] [ 0.276249 0.803823 0.044096 ] [ 0.587062 0.481077 0.25 ] [ 0.912938 0.981077 0.25 ] [ 0.087062 0.018923 0.75 ] [ 0.776249 0.696177 0.955904 ] [ 0.723751 0.196177 0.955904 ] [ 0.776249 0.696177 0.544096 ] [ 0.412938 0.518923 0.75 ] [ 0.276249 0.803823 0.455904 ] [ 0.223751 0.303823 0.044096 ] [ 0.723751 0.196177 0.544096 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 5.61188240384 "source-unit" "angstrom" } "b" { "source-value" 5.85109507521 "source-unit" "angstrom" } "c" { "source-value" 7.78606696158 "source-unit" "angstrom" } }