{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.241398 0.381614 0.549328 ] [ 0.741398 0.618386 0.450672 ] [ 0.741398 0.881614 0.950672 ] [ 0.241398 0.118386 0.049328 ] [ 0.641709 0.331813 0.785017 ] [ 0.141709 0.668187 0.214983 ] [ 0.141709 0.831813 0.714983 ] [ 0.641709 0.168187 0.285017 ] [ 0.125851 0.401419 0.870824 ] [ 0.625851 0.598581 0.129176 ] [ 0.625851 0.901419 0.629176 ] [ 0.125851 0.098581 0.370824 ] [ 0.75528 0.385784 0.695941 ] [ 0.25528 0.614216 0.304059 ] [ 0.25528 0.885784 0.804059 ] [ 0.75528 0.114216 0.195941 ] [ 0.192179 0.392625 0.966786 ] [ 0.692179 0.607375 0.033214 ] [ 0.692179 0.892625 0.533214 ] [ 0.192179 0.107375 0.466786 ] [ 0.012453 0.404225 0.708497 ] [ 0.512453 0.595775 0.291503 ] [ 0.512453 0.904225 0.791503 ] [ 0.012453 0.095775 0.208497 ] [ 0.62213 0.425556 0.590187 ] [ 0.12213 0.574444 0.409813 ] [ 0.12213 0.925556 0.909813 ] [ 0.62213 0.074444 0.090187 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "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" 4.90250033 "source-unit" "angstrom" } "b" { "source-value" 6.56456009 "source-unit" "angstrom" } "c" { "source-value" 9.99385673 "source-unit" "angstrom" } }