{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnaa" } "basis-atom-coordinates" { "source-value" [ [ 0.84259 0.491738 0.617564 ] [ 0.84259 0.008262 0.882436 ] [ 0.65741 0.508262 0.117564 ] [ 0.34259 0.491738 0.882436 ] [ 0.15741 0.508262 0.382436 ] [ 0.15741 0.991738 0.117564 ] [ 0.34259 0.008262 0.617564 ] [ 0.65741 0.991738 0.382436 ] [ 0.885777 0.23654 0.453102 ] [ 0.885777 0.26346 0.046898 ] [ 0.385777 0.23654 0.046898 ] [ 0.614223 0.73654 0.546898 ] [ 0.114223 0.73654 0.953102 ] [ 0.385777 0.26346 0.453102 ] [ 0.614223 0.76346 0.953102 ] [ 0.114223 0.76346 0.546898 ] [ 0.699576 0.013235 0.094534 ] [ 0.699576 0.486765 0.405466 ] [ 0.800424 0.986765 0.594534 ] [ 0.199576 0.486765 0.094534 ] [ 0.300424 0.986765 0.905466 ] [ 0.800424 0.513235 0.905466 ] [ 0.199576 0.013235 0.405466 ] [ 0.300424 0.513235 0.594534 ] [ 0.540353 0.70868 0.124046 ] [ 0.333667 0.422872 0.282637 ] [ 0.459647 0.29132 0.875954 ] [ 0.166333 0.577128 0.782637 ] [ 0.666333 0.577128 0.717363 ] [ 0.166333 0.922872 0.717363 ] [ 0.540353 0.79132 0.375954 ] [ 0.666333 0.922872 0.782637 ] [ 0.459647 0.20868 0.624046 ] [ 0.959647 0.29132 0.624046 ] [ 0.040353 0.70868 0.375954 ] [ 0.040353 0.79132 0.124046 ] [ 0.333667 0.077128 0.217363 ] [ 0.959647 0.20868 0.875954 ] [ 0.833667 0.422872 0.217363 ] [ 0.833667 0.077128 0.282637 ] [ 0.687946 0.94224 0.980421 ] [ 0.312054 0.44224 0.480421 ] [ 0.187946 0.94224 0.519579 ] [ 0.065845 0.584804 0.581594 ] [ 0.362795 0.81091 0.940346 ] [ 0.137205 0.31091 0.059654 ] [ 0.687946 0.55776 0.519579 ] [ 0.434155 0.084804 0.418406 ] [ 0.637205 0.18909 0.059654 ] [ 0.812054 0.05776 0.480421 ] [ 0.312054 0.05776 0.019579 ] [ 0.565845 0.584804 0.918406 ] [ 0.637205 0.31091 0.440346 ] [ 0.862795 0.68909 0.940346 ] [ 0.187946 0.55776 0.980421 ] [ 0.434155 0.415196 0.081594 ] [ 0.137205 0.18909 0.440346 ] [ 0.362795 0.68909 0.559654 ] [ 0.934155 0.084804 0.081594 ] [ 0.862795 0.81091 0.559654 ] [ 0.565845 0.915196 0.581594 ] [ 0.065845 0.915196 0.918406 ] [ 0.934155 0.415196 0.418406 ] [ 0.812054 0.44224 0.019579 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.51924304 "source-unit" "angstrom" } "b" { "source-value" 10.25924123 "source-unit" "angstrom" } "c" { "source-value" 15.79716217 "source-unit" "angstrom" } }