{ "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" [ [ 0.543259 0.25 0.227446 ] [ 0.456741 0.75 0.772554 ] [ 0.030179 0.75 0.272809 ] [ 0.969821 0.25 0.727191 ] [ 0.589343 0.75 0.090927 ] [ 0.081709 0.25 0.403353 ] [ 0.918291 0.75 0.596647 ] [ 0.410657 0.25 0.909073 ] [ 0.345179 0.25 0.055117 ] [ 0.280559 0.75 0.113111 ] [ 0.73341 0.949747 0.170222 ] [ 0.73341 0.550253 0.170222 ] [ 0.226426 0.046907 0.330196 ] [ 0.226426 0.453093 0.330196 ] [ 0.778858 0.25 0.389693 ] [ 0.825302 0.75 0.448594 ] [ 0.174698 0.25 0.551406 ] [ 0.221142 0.75 0.610307 ] [ 0.773574 0.953093 0.669804 ] [ 0.773574 0.546907 0.669804 ] [ 0.26659 0.449747 0.829778 ] [ 0.26659 0.050253 0.829778 ] [ 0.719441 0.25 0.886889 ] [ 0.654821 0.75 0.944883 ] ] } "species" { "source-value" [ "Ni" "Ni" "Sn" "Sn" "P" "P" "P" "P" "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" 4.94304169 "source-unit" "angstrom" } "b" { "source-value" 5.9524807 "source-unit" "angstrom" } "c" { "source-value" 10.00011355 "source-unit" "angstrom" } "beta" { "source-value" 90.31884028 "source-unit" "degree" } }