{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.820471 0.932434 0.942289 ] [ 0.820471 0.432434 0.557711 ] [ 0.320471 0.567566 0.942289 ] [ 0.679529 0.932434 0.442289 ] [ 0.179529 0.067566 0.057711 ] [ 0.179529 0.567566 0.442289 ] [ 0.679529 0.432434 0.057711 ] [ 0.320471 0.067566 0.557711 ] [ 0.016477 0.695914 0.83417 ] [ 0.483523 0.195914 0.16583 ] [ 0.516477 0.304086 0.66583 ] [ 0.989426 0.805209 0.556412 ] [ 0.016477 0.195914 0.66583 ] [ 0.516477 0.804086 0.83417 ] [ 0.483523 0.695914 0.33417 ] [ 0.983523 0.304086 0.16583 ] [ 0.010574 0.194791 0.443588 ] [ 0.989426 0.305209 0.943588 ] [ 0.489426 0.694791 0.556412 ] [ 0.510574 0.805209 0.056412 ] [ 0.489426 0.194791 0.943588 ] [ 0.010574 0.694791 0.056412 ] [ 0.510574 0.305209 0.443588 ] [ 0.983523 0.804086 0.33417 ] [ 0.683992 0.931075 0.682814 ] [ 0.183992 0.068925 0.817186 ] [ 0.816008 0.431075 0.317186 ] [ 0.316008 0.568925 0.182814 ] [ 0.316008 0.068925 0.317186 ] [ 0.816008 0.931075 0.182814 ] [ 0.183992 0.568925 0.682814 ] [ 0.683992 0.431075 0.817186 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.12547346 "source-unit" "angstrom" } "b" { "source-value" 6.03717989 "source-unit" "angstrom" } "c" { "source-value" 13.8870953 "source-unit" "angstrom" } }