{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0.204547 0.949961 0.259426 ] [ 0.949961 0.204547 0.759426 ] [ 0.795453 0.745414 0.759426 ] [ 0.745414 0.795453 0.259426 ] [ 0.254586 0.050039 0.759426 ] [ 0.050039 0.254586 0.259426 ] [ 0.950109 0.535865 0.980991 ] [ 0.585756 0.049891 0.980991 ] [ 0.464135 0.414244 0.980991 ] [ 0.414244 0.464135 0.480991 ] [ 0.535865 0.950109 0.480991 ] [ 0.049891 0.585756 0.480991 ] [ 0.333333 0.666667 0.184949 ] [ 0 0 0.508903 ] [ 0.333333 0.666667 0.777762 ] [ 0 0 0.008903 ] [ 0.666667 0.333333 0.277762 ] [ 0.666667 0.333333 0.684949 ] [ 0.119895 0.498077 0.828031 ] [ 0.666667 0.333333 0.111531 ] [ 0.896986 0.775957 0.951717 ] [ 0.829303 0.549392 0.634224 ] [ 0.720089 0.170697 0.634224 ] [ 0.880105 0.378183 0.328031 ] [ 0.103014 0.878971 0.451717 ] [ 0.170697 0.720089 0.134224 ] [ 0.549392 0.829303 0.134224 ] [ 0.378183 0.880105 0.828031 ] [ 0.333333 0.666667 0.350773 ] [ 0.666667 0.333333 0.850773 ] [ 0.333333 0.666667 0.611531 ] [ 0.121029 0.224043 0.451717 ] [ 0.279911 0.450608 0.134224 ] [ 0.878971 0.103014 0.951717 ] [ 0.224043 0.121029 0.951717 ] [ 0.501923 0.621817 0.828031 ] [ 0.450608 0.279911 0.634224 ] [ 0.775957 0.896986 0.451717 ] [ 0.621817 0.501923 0.328031 ] [ 0.498077 0.119895 0.328031 ] [ 0 0 0.17011 ] [ 0 0 0.67011 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.52728179118 "source-unit" "angstrom" } "c" { "source-value" 9.58360841139 "source-unit" "angstrom" } }