{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.864081 0.759814 0.604 ] [ 0.307753 0.755771 0.143534 ] [ 0.135919 0.259814 0.396 ] [ 0.692247 0.255771 0.856466 ] [ 0.401896 0.761203 0.663952 ] [ 0.598104 0.261203 0.336048 ] [ 0.168319 0.272979 0.836485 ] [ 0.831681 0.772979 0.163515 ] [ 0.499443 0.498001 0.511787 ] [ 0.093165 0.739679 0.344295 ] [ 0.694905 0.575584 0.225275 ] [ 0.224627 0.247874 0.090358 ] [ 0.906835 0.239679 0.655705 ] [ 0.764852 0.037096 0.207074 ] [ 0.500557 0.998001 0.488213 ] [ 0.235148 0.537096 0.792926 ] [ 0.775373 0.747874 0.909642 ] [ 0.305095 0.075584 0.774725 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Nd" "Nd" "Al" "Al" "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" 7.4342351725 "source-unit" "angstrom" } "b" { "source-value" 6.21964054 "source-unit" "angstrom" } "c" { "source-value" 7.62085329844 "source-unit" "angstrom" } "beta" { "source-value" 117.769464214 "source-unit" "degree" } }