{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.276908 0.818348 0.860971 ] [ 0.776908 0.681652 0.139029 ] [ 0.723092 0.318348 0.639029 ] [ 0.223092 0.181652 0.360971 ] [ 0.821312 0.309335 0.923908 ] [ 0.321312 0.190665 0.076092 ] [ 0.178688 0.809335 0.576092 ] [ 0.678688 0.690665 0.423908 ] [ 0.764359 0.604565 0.912447 ] [ 0.264359 0.895435 0.087553 ] [ 0.235641 0.104565 0.587553 ] [ 0.735641 0.395435 0.412447 ] [ 0.750775 0.120911 0.824014 ] [ 0.250775 0.379089 0.175986 ] [ 0.249225 0.620911 0.675986 ] [ 0.749225 0.879089 0.324014 ] [ 0.29417 0.717073 0.449248 ] [ 0.79417 0.782927 0.550752 ] [ 0.70583 0.217073 0.050752 ] [ 0.20583 0.282927 0.949248 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "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" 4.68198347 "source-unit" "angstrom" } "b" { "source-value" 5.81614703 "source-unit" "angstrom" } "c" { "source-value" 13.10337862 "source-unit" "angstrom" } }