{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.463525 0.737736 0.340387 ] [ 0.893454 0.666873 0.557948 ] [ 0.225285 0.663212 0.888534 ] [ 0.402719 0.059938 0.128461 ] [ 0.766839 0.099686 0.355303 ] [ 0.233161 0.900314 0.644697 ] [ 0.597281 0.940062 0.871539 ] [ 0.774715 0.336788 0.111466 ] [ 0.106546 0.333127 0.442052 ] [ 0.536475 0.262264 0.659613 ] [ 0.937749 0.73689 0.39102 ] [ 0.396596 0.712574 0.501026 ] [ 0.291169 0.697102 0.721717 ] [ 0.383014 0.949085 0.286943 ] [ 0.698829 0.737245 0.872258 ] [ 0.783857 0.85297 0.586224 ] [ 0.856309 0.104659 0.175741 ] [ 0.143691 0.895341 0.824259 ] [ 0.216143 0.14703 0.413776 ] [ 0.301171 0.262755 0.127742 ] [ 0.616986 0.050915 0.713057 ] [ 0.708831 0.302898 0.278283 ] [ 0.603404 0.287426 0.498974 ] [ 0.062251 0.26311 0.60898 ] [ 0.874671 0.252289 0.978245 ] [ 0.125329 0.747711 0.021755 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15579443 "source-unit" "angstrom" } "b" { "source-value" 10.15531511 "source-unit" "angstrom" } "c" { "source-value" 13.17794534 "source-unit" "angstrom" } "alpha" { "source-value" 72.24867232 "source-unit" "degree" } "beta" { "source-value" 81.22114354 "source-unit" "degree" } "gamma" { "source-value" 78.38920602 "source-unit" "degree" } }