{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.038088 0.5 0.27251 ] [ 0.958045 0 0.727162 ] [ 0.545321 0 0.226627 ] [ 0.456405 0.5 0.772999 ] [ 0.90837 0.5 0.596999 ] [ 0.593261 0.5 0.092184 ] [ 0.409186 0 0.904472 ] [ 0.088225 0 0.405263 ] [ 0.838938 0.5 0.446168 ] [ 0.762228 0.7058 0.669617 ] [ 0.762228 0.2942 0.669617 ] [ 0.772272 0 0.391588 ] [ 0.725054 0 0.890386 ] [ 0.742376 0.703574 0.167807 ] [ 0.742376 0.296426 0.167807 ] [ 0.667021 0.5 0.942986 ] [ 0.336895 0 0.054127 ] [ 0.261539 0.205435 0.830828 ] [ 0.261539 0.794565 0.830828 ] [ 0.278696 0.5 0.113358 ] [ 0.225544 0.5 0.610162 ] [ 0.230228 0.207486 0.330915 ] [ 0.230228 0.792514 0.330915 ] [ 0.165941 0 0.554673 ] ] } "species" { "source-value" [ "Fe" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.81806425 "source-unit" "angstrom" } "b" { "source-value" 5.82864147 "source-unit" "angstrom" } "c" { "source-value" 9.95478444 "source-unit" "angstrom" } "beta" { "source-value" 90.03812394 "source-unit" "degree" } }