{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.47403 ] [ 0 0 0.97403 ] [ 0.253174 0.238169 0.728269 ] [ 0.984996 0.746826 0.728269 ] [ 0.333333 0.666667 0.984101 ] [ 0.333333 0.666667 0.494004 ] [ 0.238169 0.984996 0.228269 ] [ 0.761831 0.015004 0.728269 ] [ 0.666667 0.333333 0.994004 ] [ 0.666667 0.333333 0.484101 ] [ 0.015004 0.253174 0.228269 ] [ 0.746826 0.761831 0.228269 ] [ 0.026443 0.628019 0.231958 ] [ 0.371981 0.398424 0.231958 ] [ 0.398424 0.026443 0.731958 ] [ 0.601576 0.973557 0.231958 ] [ 0.628019 0.601576 0.731958 ] [ 0.973557 0.371981 0.731958 ] [ 0.251141 0.325536 0.417098 ] [ 0.262883 0.343269 0.036177 ] [ 0.16077 0.501865 0.733775 ] [ 0.132634 0.539596 0.242805 ] [ 0.080386 0.737117 0.036177 ] [ 0.074395 0.748859 0.417098 ] [ 0 0 0.723829 ] [ 0 0 0.223829 ] [ 0.460404 0.593038 0.242805 ] [ 0.341095 0.83923 0.733775 ] [ 0.498135 0.658905 0.733775 ] [ 0.406962 0.867366 0.242805 ] [ 0.325536 0.074395 0.917098 ] [ 0.343269 0.080386 0.536177 ] [ 0.656731 0.919614 0.036177 ] [ 0.674464 0.925605 0.417098 ] [ 0.593038 0.132634 0.742805 ] [ 0.501865 0.341095 0.233775 ] [ 0.658905 0.16077 0.233775 ] [ 0.539596 0.406962 0.742805 ] [ 0.925605 0.251141 0.917098 ] [ 0.919614 0.262883 0.536177 ] [ 0.867366 0.460404 0.742805 ] [ 0.83923 0.498135 0.233775 ] [ 0.748859 0.674464 0.917098 ] [ 0.737117 0.656731 0.536177 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "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" 9.3115091 "source-unit" "angstrom" } "c" { "source-value" 6.54391817 "source-unit" "angstrom" } }