{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.192892 0.0665 ] [ 0 0.807108 0.5665 ] [ 0.5 0.692892 0.0665 ] [ 0.5 0.307108 0.5665 ] [ 0 0.056361 0.610062 ] [ 0.5 0.924181 0.856786 ] [ 0 0.943639 0.110062 ] [ 0.5 0.075819 0.356786 ] [ 0.5 0.556361 0.610062 ] [ 0 0.424181 0.856786 ] [ 0.5 0.443639 0.110062 ] [ 0 0.575819 0.356786 ] [ 0 0.188389 0.411398 ] [ 0.5 0.955551 0.570145 ] [ 0.5 0.044449 0.070145 ] [ 0 0.811611 0.911398 ] [ 0.5 0.688389 0.411398 ] [ 0 0.455551 0.570145 ] [ 0 0.544449 0.070145 ] [ 0.5 0.311611 0.911398 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 3.80499607 "source-unit" "angstrom" } "b" { "source-value" 13.202851 "source-unit" "angstrom" } "c" { "source-value" 7.8733196 "source-unit" "angstrom" } }