{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.716309 0.756117 0 ] [ 0.243883 0.716309 0 ] [ 0.756117 0.283691 0 ] [ 0.283691 0.243883 0 ] [ 0.5 0.5 0.763636 ] [ 0.5 0.5 0.236364 ] [ 0.216309 0.256117 0.5 ] [ 0.743883 0.216309 0.5 ] [ 0.256117 0.783691 0.5 ] [ 0.783691 0.743883 0.5 ] [ 0 0 0.263636 ] [ 0 0 0.736364 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ta" "Ta" "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" 6.01417296227 "source-unit" "angstrom" } "c" { "source-value" 8.53118830112 "source-unit" "angstrom" } }