{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.10591 0.246007 0.535436 ] [ 0.153174 0.626175 0.710497 ] [ 0.846826 0.373825 0.289503 ] [ 0.228644 0.538714 0.434616 ] [ 0.89409 0.753993 0.464564 ] [ 0.771356 0.461286 0.565384 ] [ 0.176358 0.177118 0.274397 ] [ 0.823642 0.822882 0.725603 ] [ 0.471297 0.405 0.684179 ] [ 0.2807 0.897544 0.604607 ] [ 0.7193 0.102456 0.395393 ] [ 0.528703 0.595 0.315821 ] [ 0.968046 0.66304 0.203878 ] [ 0.031954 0.33696 0.796122 ] [ 0.658048 0.218063 0.026969 ] [ 0.341952 0.781937 0.973031 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70080285943 "source-unit" "angstrom" } "b" { "source-value" 6.74862613699 "source-unit" "angstrom" } "c" { "source-value" 9.21517036752 "source-unit" "angstrom" } "alpha" { "source-value" 102.929926316 "source-unit" "degree" } "beta" { "source-value" 109.210390423 "source-unit" "degree" } "gamma" { "source-value" 86.2014514255 "source-unit" "degree" } }