{ "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" [ [ 0.888501 0.492818 0.863054 ] [ 0.111499 0.507182 0.136946 ] [ 0.30665 0.015969 0.600287 ] [ 0.388501 0.007182 0.863054 ] [ 0.80665 0.484031 0.600287 ] [ 0.69335 0.984031 0.399713 ] [ 0.19335 0.515969 0.399713 ] [ 0.611499 0.992818 0.136946 ] [ 0.851691 0.995699 0.719956 ] [ 0.148309 0.004301 0.280044 ] [ 0.648309 0.495699 0.280044 ] [ 0.5 0.5 0 ] [ 0.351691 0.504301 0.719956 ] [ 0 0 0 ] [ 0.944706 0.917338 0.863205 ] [ 0.229926 0.938495 0.435408 ] [ 0.729926 0.561505 0.435408 ] [ 0.270074 0.438495 0.564592 ] [ 0.555294 0.417338 0.136795 ] [ 0.444706 0.582662 0.863205 ] [ 0.902481 0.73798 0.262465 ] [ 0.692871 0.212787 0.974576 ] [ 0.192871 0.287213 0.974576 ] [ 0.898316 0.239399 0.303735 ] [ 0.597519 0.23798 0.737535 ] [ 0.402481 0.76202 0.262465 ] [ 0.770074 0.061505 0.564592 ] [ 0.055294 0.082662 0.136795 ] [ 0.101684 0.760601 0.696265 ] [ 0.307129 0.787213 0.025424 ] [ 0.807129 0.712787 0.025424 ] [ 0.601684 0.739399 0.696265 ] [ 0.398316 0.260601 0.303735 ] [ 0.097519 0.26202 0.737535 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.44562191448 "source-unit" "angstrom" } "b" { "source-value" 5.52671898 "source-unit" "angstrom" } "c" { "source-value" 14.0839433875 "source-unit" "angstrom" } "beta" { "source-value" 100.506690435 "source-unit" "degree" } }