{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.042132 0 0.741372 ] [ 0.707046 0 0.775655 ] [ 0.292954 0 0.224345 ] [ 0.957868 0 0.258628 ] [ 0.542132 0.5 0.741372 ] [ 0.207046 0.5 0.775655 ] [ 0.792954 0.5 0.224345 ] [ 0.457868 0.5 0.258628 ] [ 0.09819 0.737152 0.02463 ] [ 0.849224 0.753614 0.51226 ] [ 0.326137 0 0.83708 ] [ 0.150776 0.753614 0.48774 ] [ 0.417176 0 0.632612 ] [ 0.673863 0 0.16292 ] [ 0.849224 0.246386 0.51226 ] [ 0.582824 0 0.367388 ] [ 0.90181 0.262848 0.97537 ] [ 0.150776 0.246386 0.48774 ] [ 0.09819 0.262848 0.02463 ] [ 0.90181 0.737152 0.97537 ] [ 0.59819 0.237152 0.02463 ] [ 0.349224 0.253614 0.51226 ] [ 0.826137 0.5 0.83708 ] [ 0.650776 0.253614 0.48774 ] [ 0.917176 0.5 0.632612 ] [ 0.173863 0.5 0.16292 ] [ 0.349224 0.746386 0.51226 ] [ 0.082824 0.5 0.367388 ] [ 0.40181 0.762848 0.97537 ] [ 0.650776 0.746386 0.48774 ] [ 0.59819 0.762848 0.02463 ] [ 0.40181 0.237152 0.97537 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.5144031365 "source-unit" "angstrom" } "b" { "source-value" 7.45604183385 "source-unit" "angstrom" } "c" { "source-value" 8.63532979413 "source-unit" "angstrom" } "beta" { "source-value" 103.553592032 "source-unit" "degree" } }