{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0.800606 0.308391 0.36491 ] [ 0.467273 0.641725 0.698243 ] [ 0.13394 0.975058 0.031576 ] [ 0.308391 0.507785 0.63509 ] [ 0.975058 0.841119 0.968424 ] [ 0.641725 0.174452 0.301757 ] [ 0.199394 0.691609 0.63509 ] [ 0.86606 0.024942 0.968424 ] [ 0.532727 0.358275 0.301757 ] [ 0.691609 0.492215 0.36491 ] [ 0.358275 0.825548 0.698243 ] [ 0.024942 0.158881 0.031576 ] [ 0.492215 0.800606 0.63509 ] [ 0.158881 0.13394 0.968424 ] [ 0.825548 0.467273 0.301757 ] [ 0.507785 0.199394 0.36491 ] [ 0.174452 0.532727 0.698243 ] [ 0.841119 0.86606 0.031576 ] [ 0.065074 0.715741 0.697706 ] [ 0.731741 0.049074 0.031039 ] [ 0.398408 0.382408 0.364372 ] [ 0.992902 0.27425 0.407244 ] [ 0.659569 0.607583 0.740577 ] [ 0.326236 0.940917 0.073911 ] [ 0.715741 0.650667 0.302294 ] [ 0.382408 0.984 0.635628 ] [ 0.049074 0.317333 0.968961 ] [ 0.281348 0.007098 0.407244 ] [ 0.948014 0.340431 0.740577 ] [ 0.614681 0.673764 0.073911 ] [ 0.650667 0.934926 0.697706 ] [ 0.317333 0.268259 0.031039 ] [ 0.984 0.601592 0.364372 ] [ 0.007098 0.72575 0.592756 ] [ 0.673764 0.059083 0.926089 ] [ 0.340431 0.392417 0.259423 ] [ 0.718652 0.992902 0.592756 ] [ 0.385319 0.326236 0.926089 ] [ 0.051986 0.659569 0.259423 ] [ 0 0 0.906389 ] [ 0.666667 0.333333 0.239722 ] [ 0.333333 0.666667 0.573055 ] [ 0.27425 0.281348 0.592756 ] [ 0.940917 0.614681 0.926089 ] [ 0.607583 0.948014 0.259423 ] [ 0.934926 0.284259 0.302294 ] [ 0.601592 0.617592 0.635628 ] [ 0.268259 0.950926 0.968961 ] [ 0.72575 0.718652 0.407244 ] [ 0.392417 0.051986 0.740577 ] [ 0.059083 0.385319 0.073911 ] [ 0.349333 0.065074 0.302294 ] [ 0.016 0.398408 0.635628 ] [ 0.682667 0.731741 0.968961 ] [ 0 0 0.093611 ] [ 0.666667 0.333333 0.426945 ] [ 0.333333 0.666667 0.760278 ] [ 0.284259 0.349333 0.697706 ] [ 0.950926 0.682667 0.031039 ] [ 0.617592 0.016 0.364372 ] [ 0.751869 0.842938 0.541197 ] [ 0.418535 0.176271 0.87453 ] [ 0.085202 0.509605 0.207863 ] [ 0.248131 0.157062 0.458803 ] [ 0.914798 0.490395 0.792137 ] [ 0.581465 0.823729 0.12547 ] [ 0.176422 0.938255 0.78768 ] [ 0.843089 0.271588 0.121014 ] [ 0.509755 0.604922 0.454347 ] [ 0 0 0.636988 ] [ 0.666667 0.333333 0.970321 ] [ 0.333333 0.666667 0.303654 ] [ 0.761833 0.823578 0.78768 ] [ 0.4285 0.156911 0.121014 ] [ 0.095166 0.490245 0.454347 ] [ 0.238167 0.176422 0.21232 ] [ 0.904834 0.509755 0.545653 ] [ 0.5715 0.843089 0.878986 ] [ 0 0 0.363012 ] [ 0.666667 0.333333 0.696346 ] [ 0.333333 0.666667 0.029679 ] [ 0.061745 0.238167 0.78768 ] [ 0.728412 0.5715 0.121014 ] [ 0.395078 0.904834 0.454347 ] [ 0.938255 0.761833 0.21232 ] [ 0.604922 0.095166 0.545653 ] [ 0.271588 0.4285 0.878986 ] [ 0.091069 0.248131 0.541197 ] [ 0.757736 0.581465 0.87453 ] [ 0.424403 0.914798 0.207863 ] [ 0.908931 0.751869 0.458803 ] [ 0.575597 0.085202 0.792137 ] [ 0.242264 0.418535 0.12547 ] [ 0.842938 0.091069 0.458803 ] [ 0.509605 0.424403 0.792137 ] [ 0.176271 0.757736 0.12547 ] [ 0.157062 0.908931 0.541197 ] [ 0.823729 0.242264 0.87453 ] [ 0.490395 0.575597 0.207863 ] [ 0.823578 0.061745 0.21232 ] [ 0.490245 0.395078 0.545653 ] [ 0.156911 0.728412 0.878986 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.6166443671 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }