{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.37657 5.01632 4.793051 4.630835 4.503352 4.398321 4.309005 4.231307 4.162551 4.100888 4.044991 3.993874 3.946783 3.903129 3.862445 3.824353 3.788542 3.754754 3.722772 3.692414 3.663522 3.635962 3.609615 3.58438 3.5672 3.54912 3.530038 3.509838 3.48838 3.465497 3.440987 3.414601 3.386025 3.354866 3.320607 3.282565 3.239799 3.190965 3.134054 3.065855 2.980751 2.8675 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.376570000000001e-10 5.016320000000001e-10 4.793051000000001e-10 4.6308350000000005e-10 4.503352e-10 4.398321e-10 4.3090050000000004e-10 4.2313070000000003e-10 4.162551e-10 4.1008880000000006e-10 4.0449909999999997e-10 3.993874e-10 3.946783e-10 3.903129e-10 3.8624450000000004e-10 3.8243530000000003e-10 3.7885420000000004e-10 3.754754e-10 3.722772e-10 3.692414e-10 3.663522e-10 3.6359620000000005e-10 3.6096149999999997e-10 3.58438e-10 3.5672000000000004e-10 3.54912e-10 3.530038e-10 3.509838e-10 3.48838e-10 3.465497e-10 3.440987e-10 3.414601e-10 3.386025e-10 3.354866e-10 3.320607e-10 3.282565e-10 3.239799e-10 3.190965e-10 3.134054e-10 3.065855e-10 2.980751e-10 2.8675e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.909386 1.18965 1.44419 1.7404 2.03933 2.31122 2.54102 2.72427 2.86682 2.98232 3.08036 3.1664 3.24412 3.31578 3.38262 3.44549 3.50319 3.55406 3.59716 3.63204 3.65856 3.67674 3.68703 3.69029 3.68877 3.68387 3.67498 3.66112 3.64079 3.61212 3.57346 3.52262 3.4557 3.36697 3.24772 3.0828 2.84527 2.49222 1.90026 0.761992 -0.676047 -2.5572 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.456997000486724e-19 1.9060294326381e-19 2.31384747305646e-19 2.7884282138136e-19 3.26736687501522e-19 3.70298268003348e-19 4.0711628705266797e-19 4.36476173870718e-19 4.59315201788388e-19 4.77820341911088e-19 4.93528081630824e-19 5.0731320938976e-19 5.19765326189208e-19 5.31246523948452e-19 5.41955472570108e-19 5.52028357068066e-19 5.61272916246246e-19 5.69423188783404e-19 5.763285700759439e-19 5.81916962175336e-19 5.86165934608704e-19 5.89078691729316e-19 5.9072733148570195e-19 5.91249641068386e-19 5.910061102200179e-19 5.90221043669358e-19 5.8879670864173195e-19 5.86576091827008e-19 5.833188667300859e-19 5.787254263204079e-19 5.72531411453364e-19 5.64385945446108e-19 5.5366417941138e-19 5.39448066137898e-19 5.20342109777448e-19 4.9391901272952e-19 4.55862511142118e-19 3.99297665078748e-19 3.04455217052484e-19 1.2208457776949279e-19 -1.0831467068857978e-19 -4.0970860884648e-19 ] } }