{ "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" [ [ 0.865534 0.5 0.510191 ] [ 0.134466 0.5 0.489809 ] [ 0.190733 0.5 0.137857 ] [ 0.033198 0 0.811749 ] [ 0.809267 0.5 0.862143 ] [ 0.966802 0 0.188251 ] [ 0.365534 0 0.510191 ] [ 0.634466 0 0.489809 ] [ 0.690733 0 0.137857 ] [ 0.533198 0.5 0.811749 ] [ 0.309267 0 0.862143 ] [ 0.466802 0.5 0.188251 ] [ 0.026232 0.5 0.655991 ] [ 0.973768 0.5 0.344009 ] [ 0.798119 0 0.373107 ] [ 0.870819 0 0.714352 ] [ 0 0.5 0 ] [ 0.129181 0 0.285648 ] [ 0.175335 0 0.973372 ] [ 0.824665 0 0.026628 ] [ 0.201881 0 0.626893 ] [ 0.526232 0 0.655991 ] [ 0.473768 0 0.344009 ] [ 0.298119 0.5 0.373107 ] [ 0.370819 0.5 0.714352 ] [ 0.5 0 0 ] [ 0.629181 0.5 0.285648 ] [ 0.675335 0.5 0.973372 ] [ 0.324665 0.5 0.026628 ] [ 0.701881 0.5 0.626893 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "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" 14.5459477569 "source-unit" "angstrom" } "b" { "source-value" 3.70719715 "source-unit" "angstrom" } "c" { "source-value" 9.05741747954 "source-unit" "angstrom" } "beta" { "source-value" 100.160777078 "source-unit" "degree" } }