{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.000079 0.51775 0.164082 ] [ 0.49522 0.502092 0.330096 ] [ 0.987268 0.491898 0.497491 ] [ 0.492708 0.510108 0.665456 ] [ 0.016972 0.51627 0.829823 ] [ 0.490448 0.529057 0.995295 ] [ 0.994794 0.002712 0.330576 ] [ 0.88449 0.125074 0.198347 ] [ 0.612599 0.111389 0.371985 ] [ 0.860463 0.11142 0.533991 ] [ 0.382324 0.391655 0.202118 ] [ 0.37274 0.394531 0.543351 ] [ 0.117946 0.402495 0.039072 ] [ 0.36278 0.353611 0.884412 ] [ 0.116428 0.376134 0.370935 ] [ 0.124494 0.380042 0.70774 ] [ 0.874072 0.628968 0.29021 ] [ 0.873306 0.614034 0.622963 ] [ 0.616433 0.630274 0.120444 ] [ 0.874472 0.629002 0.954795 ] [ 0.607476 0.616538 0.457047 ] [ 0.64253 0.505621 0.79112 ] [ 0.122456 0.898101 0.12549 ] [ 0.375355 0.892451 0.287687 ] [ 0.104562 0.884184 0.462939 ] [ 0.369668 0.88521 0.690009 ] [ 0.196035 0.867449 0.815139 ] [ 0.412182 0.895432 0.937453 ] ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.00958965 "source-unit" "angstrom" } "b" { "source-value" 6.05710574 "source-unit" "angstrom" } "c" { "source-value" 17.97643453 "source-unit" "angstrom" } "alpha" { "source-value" 88.0083812 "source-unit" "degree" } "beta" { "source-value" 89.90144234 "source-unit" "degree" } "gamma" { "source-value" 89.72031166 "source-unit" "degree" } }