{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.302965 0.930187 0.267225 ] [ 0.627222 0.697035 0.267225 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.523137 ] [ 0.930187 0.627222 0.732775 ] [ 0.069813 0.372778 0.267225 ] [ 0.333333 0.666667 0.476863 ] [ 0.372778 0.302965 0.732775 ] [ 0.697035 0.069813 0.732775 ] [ 0 0 0 ] [ 0.666667 0.333333 0.951386 ] [ 0.333333 0.666667 0.048614 ] [ 0.344112 0.318695 0.245981 ] [ 0.974582 0.655888 0.245981 ] [ 0.681305 0.025418 0.245981 ] [ 0.318695 0.974582 0.754019 ] [ 0.025418 0.344112 0.754019 ] [ 0.655888 0.681305 0.754019 ] [ 0.193458 0.049505 0.797013 ] [ 0.39839 0.283301 0.446493 ] [ 0.449278 0.293265 0.079286 ] [ 0.510305 0.137984 0.759012 ] [ 0.627679 0.489695 0.759012 ] [ 0.856046 0.806542 0.797013 ] [ 0.706735 0.156013 0.079286 ] [ 0.843987 0.550722 0.079286 ] [ 0.049505 0.856046 0.202987 ] [ 0.884911 0.60161 0.446493 ] [ 0.716699 0.115089 0.446493 ] [ 0.862016 0.372321 0.759012 ] [ 0.137984 0.627679 0.240988 ] [ 0.283301 0.884911 0.553507 ] [ 0.115089 0.39839 0.553507 ] [ 0.950495 0.143954 0.797013 ] [ 0.156013 0.449278 0.920714 ] [ 0.293265 0.843987 0.920714 ] [ 0.143954 0.193458 0.202987 ] [ 0.372321 0.510305 0.240988 ] [ 0.489695 0.862016 0.240988 ] [ 0.550722 0.706735 0.920714 ] [ 0.60161 0.716699 0.553507 ] [ 0.806542 0.950495 0.202987 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "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" 8.78844958 "source-unit" "angstrom" } "c" { "source-value" 6.75112308 "source-unit" "angstrom" } }