{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.26684 ] [ 0 0.5 0.73316 ] [ 0.5 0 0.734533 ] [ 0 0.5 0.265467 ] [ 0.5 0 0.00256 ] [ 0.754259 0.745741 0.683018 ] [ 0.745741 0.754259 0.316982 ] [ 0.245741 0.745741 0.683018 ] [ 0.254259 0.754259 0.316982 ] [ 0 0.5 0.99744 ] [ 0.754259 0.254259 0.683018 ] [ 0.745741 0.245741 0.316982 ] [ 0.245741 0.254259 0.683018 ] [ 0.254259 0.245741 0.316982 ] ] } "species" { "source-value" [ "Ba" "Ba" "Y" "Y" "Mn" "Mn" "Co" "Co" "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" 5.55967023 "source-unit" "angstrom" } "c" { "source-value" 7.78633102 "source-unit" "angstrom" } }