{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.189148 0.829808 0.668671 ] [ 0.329808 0.831329 0.810852 ] [ 0.310852 0.170192 0.168671 ] [ 0.168671 0.189148 0.670192 ] [ 0.329426 0.528478 0.172363 ] [ 0.810852 0.170192 0.331329 ] [ 0.170192 0.331329 0.810852 ] [ 0.827637 0.829426 0.971522 ] [ 0.170574 0.471522 0.672363 ] [ 0.689148 0.829808 0.831329 ] [ 0.831329 0.810852 0.329808 ] [ 0.471522 0.672363 0.170574 ] [ 0.971522 0.827637 0.829426 ] [ 0.327637 0.829426 0.528478 ] [ 0.172363 0.329426 0.528478 ] [ 0.168671 0.310852 0.170192 ] [ 0.327637 0.670574 0.028478 ] [ 0.170192 0.168671 0.310852 ] [ 0.170574 0.028478 0.172363 ] [ 0.331329 0.810852 0.170192 ] [ 0.689148 0.670192 0.331329 ] [ 0.028478 0.327637 0.670574 ] [ 0.672363 0.329426 0.971522 ] [ 0.670574 0.471522 0.827637 ] [ 0.672363 0.170574 0.471522 ] [ 0 0.5 0.5 ] [ 0.310852 0.329808 0.668671 ] [ 0.670192 0.168671 0.189148 ] [ 0.172363 0.170574 0.028478 ] [ 0.971522 0.672363 0.329426 ] [ 0.810852 0.329808 0.831329 ] [ 0.827637 0.670574 0.471522 ] [ 0.829426 0.971522 0.827637 ] [ 0.471522 0.827637 0.670574 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.189148 0.670192 0.168671 ] [ 0.668671 0.189148 0.829808 ] [ 0.028478 0.172363 0.170574 ] [ 0.829426 0.528478 0.327637 ] [ 0.829808 0.831329 0.689148 ] [ 0.329426 0.971522 0.672363 ] [ 0.329808 0.668671 0.310852 ] [ 0.670574 0.028478 0.327637 ] [ 0.528478 0.172363 0.329426 ] [ 0.668671 0.310852 0.329808 ] [ 0.528478 0.327637 0.829426 ] [ 0.829808 0.668671 0.189148 ] [ 0.670192 0.331329 0.689148 ] [ 0.5 0.5 0 ] [ 0.331329 0.689148 0.670192 ] [ 0.831329 0.689148 0.829808 ] [ 0.669645 0.330355 0.830355 ] [ 0.830355 0.669645 0.330355 ] [ 0.830355 0.830355 0.830355 ] [ 0.669645 0.169645 0.330355 ] [ 0.330355 0.830355 0.669645 ] [ 0.330355 0.669645 0.169645 ] [ 0.169645 0.330355 0.669645 ] [ 0.169645 0.169645 0.169645 ] [ 0.166563 0.166124 0.496792 ] [ 0.166124 0.003208 0.666563 ] [ 0.668051 0.659317 0.831423 ] [ 0.164049 0.004859 0.334962 ] [ 0.833876 0.503208 0.833437 ] [ 0.995141 0.834962 0.335951 ] [ 0.498105 0.836483 0.500551 ] [ 0.000551 0.001895 0.163517 ] [ 0.001895 0.336483 0.500551 ] [ 0.004859 0.165038 0.664049 ] [ 0.999449 0.998105 0.836483 ] [ 0.333437 0.833876 0.996792 ] [ 0.663517 0.499449 0.998105 ] [ 0.168051 0.659317 0.668577 ] [ 0.503208 0.833437 0.833876 ] [ 0.503208 0.666563 0.333876 ] [ 0.998105 0.836483 0.999449 ] [ 0.666563 0.166124 0.003208 ] [ 0.831423 0.668051 0.659317 ] [ 0.664049 0.004859 0.165038 ] [ 0.840683 0.331423 0.668051 ] [ 0.335951 0.995141 0.834962 ] [ 0.004859 0.334962 0.164049 ] [ 0.504859 0.165038 0.835951 ] [ 0.331949 0.159317 0.668577 ] [ 0.666563 0.333876 0.503208 ] [ 0.168577 0.168051 0.840683 ] [ 0.836483 0.500551 0.498105 ] [ 0.499449 0.998105 0.663517 ] [ 0.000551 0.498105 0.663517 ] [ 0.499449 0.501895 0.163517 ] [ 0.159317 0.668577 0.331949 ] [ 0.998105 0.663517 0.499449 ] [ 0.668577 0.331949 0.159317 ] [ 0.999449 0.501895 0.336483 ] [ 0.840683 0.168577 0.168051 ] [ 0.333876 0.503208 0.666563 ] [ 0.666124 0.496792 0.333437 ] [ 0.666124 0.003208 0.833437 ] [ 0.003208 0.666563 0.166124 ] [ 0.668577 0.168051 0.659317 ] [ 0.834962 0.335951 0.995141 ] [ 0.164049 0.495141 0.834962 ] [ 0.333876 0.996792 0.166563 ] [ 0.834962 0.164049 0.495141 ] [ 0.831949 0.159317 0.831423 ] [ 0.001895 0.163517 0.000551 ] [ 0.995141 0.665038 0.835951 ] [ 0.165038 0.835951 0.504859 ] [ 0.496792 0.166563 0.166124 ] [ 0.166563 0.333876 0.996792 ] [ 0.835951 0.504859 0.165038 ] [ 0.833437 0.833876 0.503208 ] [ 0.163517 0.499449 0.501895 ] [ 0.668051 0.840683 0.331423 ] [ 0.501895 0.163517 0.499449 ] [ 0.159317 0.831423 0.831949 ] [ 0.495141 0.834962 0.164049 ] [ 0.334962 0.164049 0.004859 ] [ 0.835951 0.995141 0.665038 ] [ 0.165038 0.664049 0.004859 ] [ 0.663517 0.000551 0.498105 ] [ 0.664049 0.495141 0.665038 ] [ 0.504859 0.334962 0.335951 ] [ 0.003208 0.833437 0.666124 ] [ 0.665038 0.835951 0.995141 ] [ 0.498105 0.663517 0.000551 ] [ 0.333437 0.666124 0.496792 ] [ 0.334962 0.335951 0.504859 ] [ 0.495141 0.665038 0.664049 ] [ 0.833876 0.996792 0.333437 ] [ 0.996792 0.333437 0.833876 ] [ 0.996792 0.166563 0.333876 ] [ 0.166124 0.496792 0.166563 ] [ 0.831949 0.340683 0.331423 ] [ 0.168051 0.840683 0.168577 ] [ 0.836483 0.999449 0.998105 ] [ 0.331949 0.340683 0.168577 ] [ 0.831423 0.831949 0.159317 ] [ 0.163517 0.000551 0.001895 ] [ 0.659317 0.668577 0.168051 ] [ 0.340683 0.331423 0.831949 ] [ 0.500551 0.498105 0.836483 ] [ 0.496792 0.333437 0.666124 ] [ 0.665038 0.664049 0.495141 ] [ 0.336483 0.500551 0.001895 ] [ 0.336483 0.999449 0.501895 ] [ 0.659317 0.831423 0.668051 ] [ 0.500551 0.001895 0.336483 ] [ 0.331423 0.831949 0.340683 ] [ 0.833437 0.666124 0.003208 ] [ 0.501895 0.336483 0.999449 ] [ 0.340683 0.168577 0.331949 ] [ 0.168577 0.331949 0.340683 ] [ 0.331423 0.668051 0.840683 ] [ 0.335951 0.504859 0.334962 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" 18.39898325 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.9909504372500004 "source-unit" "eV" } }