{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.247496 0.488379 0.219626 ] [ 0.247496 0.011621 0.219626 ] [ 0.752504 0.511621 0.780374 ] [ 0.752504 0.988379 0.780374 ] [ 0.782577 0.75 0.369002 ] [ 0.217423 0.25 0.630998 ] [ 0.710778 0.25 0.430793 ] [ 0.289222 0.75 0.569207 ] [ 0.728589 0.75 0.094932 ] [ 0.271411 0.25 0.905068 ] [ 0.30112 0.25 0.030003 ] [ 0.932883 0.75 0.154718 ] [ 0.554896 0.75 0.177697 ] [ 0.772425 0.070536 0.352947 ] [ 0.772425 0.429464 0.352947 ] [ 0.154208 0.75 0.431508 ] [ 0.447545 0.25 0.456635 ] [ 0.552455 0.75 0.543365 ] [ 0.845792 0.25 0.568492 ] [ 0.227575 0.570536 0.647053 ] [ 0.227575 0.929464 0.647053 ] [ 0.445104 0.25 0.822303 ] [ 0.067117 0.25 0.845282 ] [ 0.69888 0.75 0.969997 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Y" "Y" "P" "P" "C" "C" "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" 5.83927977 "source-unit" "angstrom" } "b" { "source-value" 7.15555743 "source-unit" "angstrom" } "c" { "source-value" 10.02650112 "source-unit" "angstrom" } "beta" { "source-value" 91.70120703 "source-unit" "degree" } }