{ "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 0 0 ] [ 0 0.5 0 ] [ 0.956977 0.928988 0.658047 ] [ 0.956977 0.571012 0.658047 ] [ 0.043023 0.428988 0.341953 ] [ 0.043023 0.071012 0.341953 ] [ 0.666214 0.75 0.184913 ] [ 0.60784 0.25 0.536806 ] [ 0.476729 0.25 0.153528 ] [ 0.523271 0.75 0.846472 ] [ 0.39216 0.75 0.463194 ] [ 0.333786 0.25 0.815087 ] [ 0.835407 0.900568 0.202412 ] [ 0.835407 0.599432 0.202412 ] [ 0.789767 0.25 0.233464 ] [ 0.773598 0.401282 0.511911 ] [ 0.773598 0.098718 0.511911 ] [ 0.698657 0.75 0.548745 ] [ 0.684826 0.900592 0.82278 ] [ 0.684826 0.599408 0.82278 ] [ 0.464899 0.75 0.024079 ] [ 0.582942 0.25 0.713057 ] [ 0.417058 0.75 0.286943 ] [ 0.535101 0.25 0.975921 ] [ 0.315174 0.099408 0.17722 ] [ 0.315174 0.400592 0.17722 ] [ 0.301343 0.25 0.451255 ] [ 0.226402 0.901282 0.488089 ] [ 0.226402 0.598718 0.488089 ] [ 0.210233 0.75 0.766536 ] [ 0.164593 0.400568 0.797588 ] [ 0.164593 0.099432 0.797588 ] ] } "species" { "source-value" [ "Na" "Na" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "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" 4.70003436 "source-unit" "angstrom" } "b" { "source-value" 8.52737346 "source-unit" "angstrom" } "c" { "source-value" 9.03820098 "source-unit" "angstrom" } "beta" { "source-value" 98.02192074 "source-unit" "degree" } }