{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.489563 0.30038 0.250296 ] [ 0.989563 0.69962 0.750296 ] [ 0.012857 0.808005 0.249864 ] [ 0.512857 0.191995 0.749864 ] [ 0.002275 0.257987 0.000972 ] [ 0.502275 0.742013 0.500972 ] [ 0.002237 0.253592 0.499572 ] [ 0.502237 0.746408 0.999572 ] [ 0.91311 0.22757 0.254216 ] [ 0.798081 0.962429 0.954843 ] [ 0.781802 0.944498 0.545747 ] [ 0.714441 0.442592 0.953473 ] [ 0.698008 0.459789 0.54511 ] [ 0.587627 0.7236 0.245907 ] [ 0.41311 0.77243 0.754216 ] [ 0.298081 0.037571 0.454843 ] [ 0.281802 0.055502 0.045747 ] [ 0.214441 0.557408 0.453473 ] [ 0.198008 0.540211 0.04511 ] [ 0.087627 0.2764 0.745907 ] ] } "species" { "source-value" [ "Ca" "Ca" "Nd" "Nd" "Ti" "Ti" "Mn" "Mn" "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" 5.50128832033 "source-unit" "angstrom" } "b" { "source-value" 5.69564467 "source-unit" "angstrom" } "c" { "source-value" 7.6015893741 "source-unit" "angstrom" } "beta" { "source-value" 90.5018300957 "source-unit" "degree" } }