{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.461518 0.216389 0.258125 ] [ 0.006972 0.00916 0.996409 ] [ 0.508077 0.51656 0.007555 ] [ 0.98915 0.497943 0.497893 ] [ 0.747336 0.464145 0.713052 ] [ 0.241529 0.02516 0.784062 ] [ 0.716277 0.254957 0.969104 ] [ 0.214386 0.250496 0.461127 ] [ 0.96037 0.705903 0.248477 ] [ 0.039134 0.286148 0.749179 ] [ 0.785 0.750335 0.528804 ] [ 0.279112 0.740006 0.021995 ] [ 0.753173 0.968586 0.215524 ] [ 0.497062 0.994924 0.507396 ] [ 0.251835 0.531522 0.281029 ] [ 0.539217 0.798176 0.756928 ] [ 0.463922 0.23391 0.510869 ] [ 0.957928 0.225218 0.466488 ] [ 0.736867 0.508411 0.963188 ] [ 0.028577 0.542289 0.772046 ] [ 0.230523 0.957713 0.99038 ] [ 0.98641 0.036042 0.763114 ] [ 0.724538 0.464979 0.45 ] [ 0.483143 0.723865 0.949402 ] [ 0.774005 0.04302 0.011742 ] [ 0.970373 0.456553 0.228308 ] [ 0.262702 0.488534 0.035416 ] [ 0.048157 0.772516 0.53535 ] [ 0.458395 0.993955 0.728576 ] [ 0.236123 0.270716 0.230721 ] [ 0.729722 0.740147 0.270608 ] [ 0.530853 0.760991 0.489196 ] [ 0.273994 0.261593 0.729354 ] [ 0.763064 0.72657 0.773411 ] [ 0.546015 0.009208 0.273831 ] [ 0.771278 0.224464 0.735012 ] [ 0.276308 0.530773 0.548893 ] [ 0.014638 0.964075 0.239158 ] [ 0.512535 0.273137 0.044804 ] [ 0.229785 0.78091 0.263472 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 8.8535817 "source-unit" "angstrom" } "b" { "source-value" 8.87994079 "source-unit" "angstrom" } "c" { "source-value" 8.88288976 "source-unit" "angstrom" } "alpha" { "source-value" 109.56903062 "source-unit" "degree" } "beta" { "source-value" 109.47042113 "source-unit" "degree" } "gamma" { "source-value" 109.2629335 "source-unit" "degree" } }