{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.664175 ] [ 0.666667 0.333333 0.997508 ] [ 0.333333 0.666667 0.330842 ] [ 0 0 0.835825 ] [ 0.666667 0.333333 0.169158 ] [ 0.333333 0.666667 0.502492 ] [ 0 0 0.335825 ] [ 0.666667 0.333333 0.669158 ] [ 0.333333 0.666667 0.002492 ] [ 0 0 0.164175 ] [ 0.666667 0.333333 0.497508 ] [ 0.333333 0.666667 0.830842 ] [ 0.03768 0.666667 0.416667 ] [ 0.704346 0 0.75 ] [ 0.371013 0.333333 0.083333 ] [ 0.96232 0.333333 0.583333 ] [ 0.628987 0.666667 0.916667 ] [ 0.295654 0 0.25 ] [ 0.371013 0.03768 0.583333 ] [ 0.03768 0.371013 0.916667 ] [ 0.704346 0.704346 0.25 ] [ 0.666667 0.628987 0.583333 ] [ 0.333333 0.96232 0.916667 ] [ 0 0.295654 0.25 ] [ 0.333333 0.371013 0.416667 ] [ 0 0.704346 0.75 ] [ 0.666667 0.03768 0.083333 ] [ 0.628987 0.96232 0.416667 ] [ 0.295654 0.295654 0.75 ] [ 0.96232 0.628987 0.083333 ] [ 0.591491 0.996083 0.456202 ] [ 0.258158 0.329416 0.789535 ] [ 0.924825 0.662749 0.122869 ] [ 0.337251 0.075175 0.622869 ] [ 0.003917 0.408509 0.956202 ] [ 0.670584 0.741842 0.289535 ] [ 0.003917 0.595408 0.456202 ] [ 0.670584 0.928742 0.789535 ] [ 0.337251 0.262075 0.122869 ] [ 0.996083 0.404592 0.543798 ] [ 0.662749 0.737925 0.877131 ] [ 0.329416 0.071258 0.210465 ] [ 0.075175 0.737925 0.377131 ] [ 0.741842 0.071258 0.710465 ] [ 0.408509 0.404592 0.043798 ] [ 0.262075 0.337251 0.377131 ] [ 0.928742 0.670584 0.710465 ] [ 0.595408 0.003917 0.043798 ] [ 0.662749 0.924825 0.377131 ] [ 0.329416 0.258158 0.710465 ] [ 0.996083 0.591491 0.043798 ] [ 0.924825 0.262075 0.622869 ] [ 0.591491 0.595408 0.956202 ] [ 0.258158 0.928742 0.289535 ] [ 0.408509 0.003917 0.543798 ] [ 0.075175 0.337251 0.877131 ] [ 0.741842 0.670584 0.210465 ] [ 0.737925 0.662749 0.622869 ] [ 0.404592 0.996083 0.956202 ] [ 0.071258 0.329416 0.289535 ] [ 0.404592 0.408509 0.456202 ] [ 0.071258 0.741842 0.789535 ] [ 0.737925 0.075175 0.122869 ] [ 0.595408 0.591491 0.543798 ] [ 0.262075 0.924825 0.877131 ] [ 0.928742 0.258158 0.210465 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.28467251061 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }