{ "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" [ [ 0.407455 0.318914 0.75 ] [ 0.592545 0.681086 0.25 ] [ 0.088541 0.407455 0.25 ] [ 0.318914 0.911459 0.25 ] [ 0.681086 0.088541 0.75 ] [ 0.911459 0.592545 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.046024 0.231227 0.75 ] [ 0.953976 0.768773 0.25 ] [ 0.185203 0.953976 0.75 ] [ 0.768773 0.814797 0.75 ] [ 0.231227 0.185203 0.25 ] [ 0.814797 0.046024 0.25 ] [ 0.365937 0.527038 0.975587 ] [ 0.634063 0.472962 0.475587 ] [ 0.161102 0.634063 0.975587 ] [ 0.472962 0.838898 0.975587 ] [ 0.527038 0.161102 0.475587 ] [ 0.838898 0.365937 0.475587 ] [ 0.634063 0.472962 0.024413 ] [ 0.365937 0.527038 0.524413 ] [ 0.838898 0.365937 0.024413 ] [ 0.527038 0.161102 0.024413 ] [ 0.472962 0.838898 0.524413 ] [ 0.161102 0.634063 0.524413 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Mn" "Mn" "W" "W" "S" "S" "S" "S" "S" "S" "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" 9.53212689 "source-unit" "angstrom" } "c" { "source-value" 5.61762459 "source-unit" "angstrom" } }