{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.345161 0.68353 ] [ 0.75 0.654839 0.31647 ] [ 0.75 0.845161 0.81647 ] [ 0.25 0.154839 0.18353 ] [ 0.25 0.692315 0.056441 ] [ 0.75 0.307685 0.943559 ] [ 0.75 0.192315 0.443559 ] [ 0.25 0.807685 0.556441 ] [ 0.511003 0.180007 0.919549 ] [ 0.011003 0.819993 0.080451 ] [ 0.488997 0.680007 0.580451 ] [ 0.988997 0.319993 0.419549 ] [ 0.488997 0.819993 0.080451 ] [ 0.988997 0.180007 0.919549 ] [ 0.511003 0.319993 0.419549 ] [ 0.011003 0.680007 0.580451 ] [ 0.25 0.885895 0.388415 ] [ 0.75 0.114105 0.611585 ] [ 0.75 0.385895 0.111585 ] [ 0.25 0.614105 0.888415 ] [ 0.25 0.969941 0.679385 ] [ 0.75 0.030059 0.320615 ] [ 0.75 0.469941 0.820615 ] [ 0.25 0.530059 0.179385 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "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" 5.68648171 "source-unit" "angstrom" } "b" { "source-value" 7.4599968 "source-unit" "angstrom" } "c" { "source-value" 9.20838805 "source-unit" "angstrom" } }