{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.168219 0.5 0.095289 ] [ 0.998203 0 0.01391 ] [ 0.998457 0 0.510517 ] [ 0.834089 0.5 0.592712 ] [ 0.668219 0 0.095289 ] [ 0.498203 0.5 0.01391 ] [ 0.498457 0.5 0.510517 ] [ 0.334089 0 0.592712 ] [ 0.829841 0 0.785363 ] [ 0.915815 0.744257 0.2855 ] [ 0.915815 0.255743 0.2855 ] [ 0.329841 0.5 0.785363 ] [ 0.415815 0.244257 0.2855 ] [ 0.415815 0.755743 0.2855 ] [ 0.085323 0.745794 0.786286 ] [ 0.085323 0.254206 0.786286 ] [ 0.170859 0 0.286122 ] [ 0.585323 0.245794 0.786286 ] [ 0.585323 0.754206 0.786286 ] [ 0.670859 0.5 0.286122 ] [ 0.167397 0.5 0.511438 ] [ 0.835062 0.5 0.013948 ] [ 0.667397 0 0.511438 ] [ 0.335062 0 0.013948 ] [ 0.078116 0.75104 0.401747 ] [ 0.017776 0.5 0.656009 ] [ 0.176968 0.5 0.889276 ] [ 0.989458 0 0.696589 ] [ 0.991002 0 0.201923 ] [ 0.078116 0.24896 0.401747 ] [ 0.243265 0.722761 0.657659 ] [ 0.243265 0.277239 0.657659 ] [ 0.163004 0 0.908786 ] [ 0.833824 0 0.39872 ] [ 0.762734 0.725548 0.159538 ] [ 0.762734 0.274452 0.159538 ] [ 0.84313 0.5 0.386192 ] [ 0.914175 0.755849 0.902046 ] [ 0.983738 0.5 0.159806 ] [ 0.914175 0.244151 0.902046 ] [ 0.578116 0.25104 0.401747 ] [ 0.517776 0 0.656009 ] [ 0.676968 0 0.889276 ] [ 0.489458 0.5 0.696589 ] [ 0.491002 0.5 0.201923 ] [ 0.578116 0.74896 0.401747 ] [ 0.743265 0.222761 0.657659 ] [ 0.743265 0.777239 0.657659 ] [ 0.663004 0.5 0.908786 ] [ 0.333824 0.5 0.39872 ] [ 0.262734 0.225548 0.159538 ] [ 0.262734 0.774452 0.159538 ] [ 0.34313 0 0.386192 ] [ 0.414175 0.255849 0.902046 ] [ 0.483738 0 0.159806 ] [ 0.414175 0.744151 0.902046 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.15364425 "source-unit" "angstrom" } "b" { "source-value" 5.84822806 "source-unit" "angstrom" } "c" { "source-value" 9.56950975 "source-unit" "angstrom" } "beta" { "source-value" 90.56858178 "source-unit" "degree" } }