{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.595069 0.848583 0.782364 ] [ 0.404931 0.151417 0.217636 ] [ 0.904931 0.348583 0.717636 ] [ 0.095069 0.651417 0.282364 ] [ 0.887317 0.162058 0.197462 ] [ 0.612683 0.662058 0.302538 ] [ 0.387317 0.337942 0.697462 ] [ 0.112683 0.837942 0.802538 ] [ 0.225188 0.786952 0.615807 ] [ 0.774812 0.213048 0.384193 ] [ 0.576302 0.504065 0.747667 ] [ 0.831728 0.605875 0.481918 ] [ 0.274812 0.286952 0.884193 ] [ 0.076302 0.995935 0.247667 ] [ 0.923698 0.004065 0.752333 ] [ 0.501442 0.15597 0.606766 ] [ 0.998558 0.65597 0.893234 ] [ 0.168272 0.394125 0.518082 ] [ 0.331728 0.894125 0.981918 ] [ 0.001442 0.34403 0.106766 ] [ 0.725188 0.713048 0.115807 ] [ 0.423698 0.495935 0.252333 ] [ 0.498558 0.84403 0.393234 ] [ 0.668272 0.105875 0.018082 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "As" "As" "As" "As" "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" 6.77150315068 "source-unit" "angstrom" } "b" { "source-value" 7.19911695 "source-unit" "angstrom" } "c" { "source-value" 7.0061174166 "source-unit" "angstrom" } "beta" { "source-value" 105.071826447 "source-unit" "degree" } }