{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.878571 0.640712 0.616766 ] [ 0.237859 0.878571 0.116766 ] [ 0.640712 0.762141 0.116766 ] [ 0.359288 0.237859 0.616766 ] [ 0.762141 0.121429 0.616766 ] [ 0.121429 0.359288 0.116766 ] [ 0.666667 0.333333 0.205223 ] [ 0.333333 0.666667 0.705223 ] [ 0 0 0.571277 ] [ 0 0 0.071277 ] [ 0.666667 0.333333 0.842683 ] [ 0.333333 0.666667 0.342683 ] [ 0.474585 0.881414 0.847982 ] [ 0.593171 0.474585 0.347982 ] [ 0.881414 0.406829 0.347982 ] [ 0.118586 0.593171 0.847982 ] [ 0.265222 0.177292 0.103225 ] [ 0.08793 0.265222 0.603225 ] [ 0.177292 0.91207 0.603225 ] [ 0.822708 0.08793 0.103225 ] [ 0.91207 0.734778 0.103225 ] [ 0.734778 0.822708 0.603225 ] [ 0.525415 0.118586 0.347982 ] [ 0.406829 0.525415 0.847982 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Si" "Si" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4934832394 "source-unit" "angstrom" } "c" { "source-value" 5.83684715 "source-unit" "angstrom" } }