{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.968836 ] [ 0.333333 0.666667 0.531164 ] [ 0.666667 0.333333 0.468836 ] [ 0.666667 0.333333 0.031164 ] [ 0.04919 0.279041 0.25 ] [ 0.720959 0.770149 0.25 ] [ 0.770149 0.04919 0.75 ] [ 0.229851 0.95081 0.25 ] [ 0.279041 0.229851 0.75 ] [ 0.95081 0.720959 0.75 ] [ 0.041642 0.245 0.75 ] [ 0.051458 0.410149 0.116232 ] [ 0.051458 0.410149 0.383768 ] [ 0.589851 0.641309 0.383768 ] [ 0.589851 0.641309 0.116232 ] [ 0.755 0.796642 0.75 ] [ 0.796642 0.041642 0.25 ] [ 0.358691 0.948542 0.116232 ] [ 0.358691 0.948542 0.383768 ] [ 0.641309 0.051458 0.616232 ] [ 0.641309 0.051458 0.883768 ] [ 0.203358 0.958358 0.75 ] [ 0.245 0.203358 0.25 ] [ 0.410149 0.358691 0.616232 ] [ 0.410149 0.358691 0.883768 ] [ 0.948542 0.589851 0.616232 ] [ 0.948542 0.589851 0.883768 ] [ 0.958358 0.755 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Si" "Si" "Si" "Si" "Si" "Si" "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" 6.82139284 "source-unit" "angstrom" } "c" { "source-value" 10.19045395 "source-unit" "angstrom" } }