{ "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" [ [ 0.98411 0.036708 0.25 ] [ 0.48411 0.463292 0.75 ] [ 0.51589 0.536708 0.25 ] [ 0.01589 0.963292 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.717468 0.282046 0.443954 ] [ 0.217468 0.217954 0.556046 ] [ 0.782532 0.782046 0.056046 ] [ 0.282532 0.717954 0.943954 ] [ 0.282532 0.717954 0.556046 ] [ 0.782532 0.782046 0.443954 ] [ 0.217468 0.217954 0.943954 ] [ 0.717468 0.282046 0.056046 ] [ 0.098917 0.463053 0.25 ] [ 0.598917 0.036947 0.75 ] [ 0.401083 0.963053 0.25 ] [ 0.901083 0.536947 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pr" "Pr" "Pr" "Pr" "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" 6.41045115 "source-unit" "angstrom" } "b" { "source-value" 6.4969364 "source-unit" "angstrom" } "c" { "source-value" 9.10700912 "source-unit" "angstrom" } }