{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.327556 0.517537 ] [ 0.5 0.172444 0.017537 ] [ 0.5 0.587336 0.748005 ] [ 0.5 0.087336 0.751995 ] [ 0.5 0.672444 0.482463 ] [ 0.5 0.827556 0.982463 ] [ 0.5 0.412664 0.251995 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.912664 0.248005 ] [ 0 0.673889 0.288453 ] [ 0 0.326111 0.711547 ] [ 0 0.826111 0.788453 ] [ 0 0.173889 0.211547 ] [ 0 0.156578 0.596771 ] [ 0.5 0.83719 0.68265 ] [ 0.5 0.33719 0.81735 ] [ 0.5 0.16281 0.31735 ] [ 0.5 0.66281 0.18265 ] [ 0 0.843422 0.403229 ] [ 0 0.486057 0.408057 ] [ 0 0.013943 0.908057 ] [ 0 0.513943 0.591943 ] [ 0 0.656578 0.903229 ] [ 0 0.986057 0.091943 ] [ 0 0.343422 0.096771 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86987103 "source-unit" "angstrom" } "b" { "source-value" 13.56141647 "source-unit" "angstrom" } "c" { "source-value" 15.60496263 "source-unit" "angstrom" } }