{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.752414 0.352281 ] [ 0.25 0.247586 0.647719 ] [ 0.75 0.252414 0.147719 ] [ 0.25 0.747586 0.852281 ] [ 0.25 0.076585 0.88866 ] [ 0.75 0.923415 0.11134 ] [ 0.25 0.576585 0.61134 ] [ 0.75 0.423415 0.38866 ] [ 0.75 0.423136 0.889004 ] [ 0.25 0.576864 0.110996 ] [ 0.75 0.923136 0.610996 ] [ 0.25 0.076864 0.389004 ] [ 0.25 0.071167 0.075255 ] [ 0.75 0.928833 0.924745 ] [ 0.25 0.571167 0.424745 ] [ 0.75 0.428833 0.575255 ] [ 0.25 0.982669 0.717246 ] [ 0.75 0.017331 0.282754 ] [ 0.25 0.482669 0.782754 ] [ 0.75 0.517331 0.217246 ] [ 0.25 0.381018 0.018892 ] [ 0.75 0.618982 0.981108 ] [ 0.25 0.881018 0.481108 ] [ 0.75 0.118982 0.518892 ] [ 0.75 0.210311 0.834656 ] [ 0.25 0.789689 0.165344 ] [ 0.75 0.710311 0.665344 ] [ 0.25 0.289689 0.334656 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "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" 3.57912075 "source-unit" "angstrom" } "b" { "source-value" 10.66366553 "source-unit" "angstrom" } "c" { "source-value" 12.46490073 "source-unit" "angstrom" } }