{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.625732 0 0.385759 ] [ 0.374268 0 0.614241 ] [ 0 0 0 ] [ 0.125732 0.5 0.385759 ] [ 0.874268 0.5 0.614241 ] [ 0.5 0.5 0 ] [ 0.181786 0 0.2709 ] [ 0.218764 0.263886 0.697699 ] [ 0.218764 0.736114 0.697699 ] [ 0.781236 0.736114 0.302301 ] [ 0.781236 0.263886 0.302301 ] [ 0.872335 0.249539 0.926287 ] [ 0.872335 0.750461 0.926287 ] [ 0.127665 0.750461 0.073713 ] [ 0.970422 0.740645 0.300983 ] [ 0.029578 0.740645 0.699017 ] [ 0.029578 0.259355 0.699017 ] [ 0.970422 0.259355 0.300983 ] [ 0.162233 0 0.703765 ] [ 0.837767 0 0.296235 ] [ 0.622085 0 0.873297 ] [ 0.377915 0 0.126703 ] [ 0 0 0.5 ] [ 0.127665 0.249539 0.073713 ] [ 0.818214 0 0.7291 ] [ 0.681786 0.5 0.2709 ] [ 0.718764 0.763886 0.697699 ] [ 0.718764 0.236114 0.697699 ] [ 0.281236 0.236114 0.302301 ] [ 0.281236 0.763886 0.302301 ] [ 0.372335 0.749539 0.926287 ] [ 0.372335 0.250461 0.926287 ] [ 0.627665 0.250461 0.073713 ] [ 0.470422 0.240645 0.300983 ] [ 0.529578 0.240645 0.699017 ] [ 0.529578 0.759355 0.699017 ] [ 0.470422 0.759355 0.300983 ] [ 0.662233 0.5 0.703765 ] [ 0.337767 0.5 0.296235 ] [ 0.122085 0.5 0.873297 ] [ 0.877915 0.5 0.126703 ] [ 0.5 0.5 0.5 ] [ 0.627665 0.749539 0.073713 ] [ 0.318214 0.5 0.7291 ] [ 0.882087 0.183175 0.569081 ] [ 0.117913 0.183175 0.430919 ] [ 0.117913 0.816825 0.430919 ] [ 0.753958 0.103472 0.025171 ] [ 0.753958 0.896528 0.025171 ] [ 0.246042 0.896528 0.974829 ] [ 0 0.615291 0 ] [ 0 0.384709 0 ] [ 0.882087 0.816825 0.569081 ] [ 0.246042 0.103472 0.974829 ] [ 0.382087 0.683175 0.569081 ] [ 0.617913 0.683175 0.430919 ] [ 0.617913 0.316825 0.430919 ] [ 0.253958 0.603472 0.025171 ] [ 0.253958 0.396528 0.025171 ] [ 0.746042 0.396528 0.974829 ] [ 0.5 0.115291 0 ] [ 0.5 0.884709 0 ] [ 0.382087 0.316825 0.569081 ] [ 0.746042 0.603472 0.974829 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.1551714938 "source-unit" "angstrom" } "b" { "source-value" 8.69236270641 "source-unit" "angstrom" } "c" { "source-value" 5.75822780989 "source-unit" "angstrom" } "beta" { "source-value" 91.3786149705 "source-unit" "degree" } }