{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.245469 0.011863 0.224949 ] [ 0.245469 0.488137 0.224949 ] [ 0.754531 0.511863 0.775051 ] [ 0.754531 0.988137 0.775051 ] [ 0.77738 0.75 0.365429 ] [ 0.22262 0.25 0.634571 ] [ 0.711394 0.25 0.429366 ] [ 0.288606 0.75 0.570634 ] [ 0.72959 0.75 0.089202 ] [ 0.27041 0.25 0.910798 ] [ 0.301141 0.25 0.036482 ] [ 0.935029 0.75 0.151668 ] [ 0.554709 0.75 0.172511 ] [ 0.769085 0.069562 0.350271 ] [ 0.769085 0.430438 0.350271 ] [ 0.14744 0.75 0.432436 ] [ 0.447745 0.25 0.458428 ] [ 0.552255 0.75 0.541572 ] [ 0.85256 0.25 0.567564 ] [ 0.230915 0.569562 0.649729 ] [ 0.230915 0.930438 0.649729 ] [ 0.445291 0.25 0.827489 ] [ 0.064971 0.25 0.848332 ] [ 0.698859 0.75 0.963518 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ho" "Ho" "P" "P" "C" "C" "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" 5.8051143 "source-unit" "angstrom" } "b" { "source-value" 7.13359294 "source-unit" "angstrom" } "c" { "source-value" 9.91727453 "source-unit" "angstrom" } "beta" { "source-value" 92.26010865 "source-unit" "degree" } }