{ "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 0.549386 ] [ 0.666667 0.333333 0.049386 ] [ 0.666667 0.333333 0.450614 ] [ 0.333333 0.666667 0.950614 ] [ 0.951994 0.310569 0.75 ] [ 0.641424 0.951994 0.25 ] [ 0.310569 0.358576 0.25 ] [ 0.689431 0.641424 0.75 ] [ 0.358576 0.048006 0.75 ] [ 0.048006 0.689431 0.25 ] [ 0.818239 0.83925 0.75 ] [ 0.978989 0.818239 0.25 ] [ 0.83925 0.021011 0.25 ] [ 0.16075 0.978989 0.75 ] [ 0.021011 0.181761 0.75 ] [ 0.181761 0.16075 0.25 ] [ 0.130726 0.517315 0.75 ] [ 0.613411 0.130726 0.25 ] [ 0.517315 0.386589 0.25 ] [ 0.482685 0.613411 0.75 ] [ 0.162875 0.729047 0.074679 ] [ 0.433828 0.162875 0.574679 ] [ 0.729047 0.566172 0.574679 ] [ 0.270953 0.433828 0.074679 ] [ 0.566172 0.837125 0.074679 ] [ 0.837125 0.270953 0.574679 ] [ 0.837125 0.270953 0.925321 ] [ 0.566172 0.837125 0.425321 ] [ 0.270953 0.433828 0.425321 ] [ 0.729047 0.566172 0.925321 ] [ 0.433828 0.162875 0.925321 ] [ 0.162875 0.729047 0.425321 ] [ 0.869274 0.482685 0.25 ] [ 0.386589 0.869274 0.75 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "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" 8.06471474989 "source-unit" "angstrom" } "c" { "source-value" 7.36137677 "source-unit" "angstrom" } }