{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/ncm" } "basis-atom-coordinates" { "source-value" [ [ 0.876281 0.623719 0.371255 ] [ 0.123719 0.376281 0.628745 ] [ 0.876281 0.876281 0.871255 ] [ 0.376281 0.376281 0.128745 ] [ 0.623719 0.876281 0.371255 ] [ 0.123719 0.123719 0.128745 ] [ 0.623719 0.623719 0.871255 ] [ 0.376281 0.123719 0.628745 ] [ 0.069492 0.069492 0.632697 ] [ 0.569492 0.569492 0.367303 ] [ 0.930508 0.930508 0.367303 ] [ 0.569492 0.930508 0.867303 ] [ 0.430508 0.069492 0.132697 ] [ 0.069492 0.430508 0.132697 ] [ 0.930508 0.569492 0.867303 ] [ 0.430508 0.430508 0.632697 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.77008467 "source-unit" "angstrom" } "c" { "source-value" 3.96080911 "source-unit" "angstrom" } }