{ "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" [ [ 0.689539 0.417796 0.122066 ] [ 0.689539 0.082204 0.622066 ] [ 0.310461 0.917796 0.377934 ] [ 0.310461 0.582204 0.877934 ] [ 0 0 0.5 ] [ 0.820801 0.381586 0.486455 ] [ 0 0.5 0 ] [ 0.820801 0.118414 0.986455 ] [ 0.179199 0.881586 0.013545 ] [ 0.179199 0.618414 0.513545 ] [ 0.889876 0.798654 0.19401 ] [ 0.889876 0.701346 0.69401 ] [ 0.600796 0.040421 0.208971 ] [ 0.399204 0.540421 0.291029 ] [ 0.600796 0.459579 0.708971 ] [ 0.399204 0.959579 0.791029 ] [ 0.110124 0.298654 0.30599 ] [ 0.110124 0.201346 0.80599 ] [ 0.987747 0.296861 0.134019 ] [ 0.97456 0.924494 0.11359 ] [ 0.861136 0.635951 0.115886 ] [ 0.987747 0.203139 0.634019 ] [ 0.97456 0.575506 0.61359 ] [ 0.682729 0.861507 0.187308 ] [ 0.630216 0.151174 0.09078 ] [ 0.861136 0.864049 0.615886 ] [ 0.721213 0.098723 0.371814 ] [ 0.610561 0.507298 0.313977 ] [ 0.682729 0.638493 0.687308 ] [ 0.630216 0.348826 0.59078 ] [ 0.721213 0.401277 0.871814 ] [ 0.389439 0.007298 0.186023 ] [ 0.610561 0.992702 0.813977 ] [ 0.278787 0.598723 0.128186 ] [ 0.369784 0.651174 0.40922 ] [ 0.317271 0.361507 0.312692 ] [ 0.389439 0.492702 0.686023 ] [ 0.278787 0.901277 0.628186 ] [ 0.138864 0.135951 0.384114 ] [ 0.369784 0.848826 0.90922 ] [ 0.317271 0.138493 0.812692 ] [ 0.02544 0.424494 0.38641 ] [ 0.012253 0.796861 0.365981 ] [ 0.138864 0.364049 0.884114 ] [ 0.02544 0.075506 0.88641 ] [ 0.012253 0.703139 0.865981 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "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" "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" 7.40916094 "source-unit" "angstrom" } "b" { "source-value" 8.22837502 "source-unit" "angstrom" } "c" { "source-value" 9.50084237 "source-unit" "angstrom" } "beta" { "source-value" 111.44081322 "source-unit" "degree" } }