{ "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" [ [ 0.615814 0.991127 0.824365 ] [ 0.40984 0.178733 0.573941 ] [ 0.711684 0.473888 0.962033 ] [ 0.288316 0.526112 0.037967 ] [ 0.59016 0.821267 0.426059 ] [ 0.384186 0.008873 0.175635 ] [ 0.882174 0.228926 0.618847 ] [ 0.140414 0.114386 0.859748 ] [ 0.621245 0.414285 0.288189 ] [ 0.378755 0.585715 0.711811 ] [ 0.859586 0.885614 0.140252 ] [ 0.117826 0.771074 0.381153 ] [ 0.906026 0.680755 0.725243 ] [ 0.093974 0.319245 0.274757 ] [ 0.686317 0.09276 0.617481 ] [ 0.360317 0.076981 0.873117 ] [ 0.914867 0.219696 0.437531 ] [ 0.099152 0.172538 0.689617 ] [ 0.87754 0.415223 0.745072 ] [ 0.054681 0.038374 0.168403 ] [ 0.425778 0.271438 0.293613 ] [ 0.773418 0.315643 0.173656 ] [ 0.456575 0.45811 0.794746 ] [ 0.747038 0.516334 0.474511 ] [ 0.884332 0.718872 0.988747 ] [ 0.115668 0.281128 0.011253 ] [ 0.252962 0.483666 0.525489 ] [ 0.543425 0.54189 0.205254 ] [ 0.226582 0.684357 0.826344 ] [ 0.574222 0.728562 0.706387 ] [ 0.945319 0.961626 0.831597 ] [ 0.12246 0.584777 0.254928 ] [ 0.900848 0.827462 0.310383 ] [ 0.085133 0.780304 0.562469 ] [ 0.639683 0.923019 0.126883 ] [ 0.313683 0.90724 0.382519 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "P" "P" "P" "P" "P" "P" "W" "W" "O" "O" "O" "O" "O" "O" "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" 6.41301031 "source-unit" "angstrom" } "b" { "source-value" 8.15485615 "source-unit" "angstrom" } "c" { "source-value" 8.22695025 "source-unit" "angstrom" } "alpha" { "source-value" 109.1229745 "source-unit" "degree" } "beta" { "source-value" 96.16533814 "source-unit" "degree" } "gamma" { "source-value" 99.47426445 "source-unit" "degree" } }