{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.004256 0.398798 0.164806 ] [ 0.995744 0.898798 0.335194 ] [ 0.004256 0.101202 0.664806 ] [ 0.995744 0.601202 0.835194 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.529461 0.264602 0.915022 ] [ 0.470539 0.764602 0.584978 ] [ 0.470539 0.735398 0.084978 ] [ 0.529461 0.235398 0.415022 ] [ 0.535285 0.59603 0.338887 ] [ 0.464715 0.09603 0.161113 ] [ 0.464715 0.40397 0.661113 ] [ 0.535285 0.90397 0.838887 ] [ 0.777809 0.404334 0.666688 ] [ 0.222191 0.595666 0.333312 ] [ 0.678641 0.092018 0.857142 ] [ 0.321359 0.592018 0.642858 ] [ 0.321359 0.907982 0.142858 ] [ 0.777809 0.095666 0.166688 ] [ 0.666271 0.792916 0.962455 ] [ 0.333729 0.292916 0.537545 ] [ 0.333729 0.207084 0.037545 ] [ 0.666271 0.707084 0.462455 ] [ 0.671924 0.829917 0.704879 ] [ 0.328076 0.329917 0.795121 ] [ 0.328076 0.170083 0.295121 ] [ 0.671924 0.670083 0.204879 ] [ 0.751446 0.108779 0.460647 ] [ 0.248554 0.608779 0.039353 ] [ 0.248554 0.891221 0.539353 ] [ 0.751446 0.391221 0.960647 ] [ 0.678641 0.407982 0.357142 ] [ 0.222191 0.904334 0.833312 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 4.54005610118 "source-unit" "angstrom" } "b" { "source-value" 7.27133138 "source-unit" "angstrom" } "c" { "source-value" 9.41735219975 "source-unit" "angstrom" } "beta" { "source-value" 91.259120456 "source-unit" "degree" } }