{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.29673 4.008834 3.830407 3.700771 3.598893 3.514956 3.443579 3.381486 3.326539 3.277261 3.232591 3.19174 3.154106 3.11922 3.086708 3.056266 3.027647 3.000645 2.975087 2.950826 2.927737 2.905712 2.884657 2.86449 2.850761 2.836311 2.821062 2.804919 2.787771 2.769484 2.749897 2.728809 2.705973 2.681072 2.653694 2.623293 2.589115 2.55009 2.504609 2.450107 2.382095 2.29159 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2967300000000005e-10 4.008834e-10 3.830407e-10 3.7007710000000004e-10 3.598893e-10 3.514956e-10 3.4435790000000004e-10 3.3814860000000004e-10 3.326539e-10 3.277261e-10 3.2325910000000005e-10 3.19174e-10 3.1541060000000004e-10 3.11922e-10 3.086708e-10 3.056266e-10 3.027647e-10 3.0006450000000003e-10 2.975087e-10 2.9508260000000003e-10 2.927737e-10 2.905712e-10 2.884657e-10 2.86449e-10 2.850761e-10 2.8363109999999997e-10 2.821062e-10 2.804919e-10 2.7877710000000005e-10 2.769484e-10 2.749897e-10 2.728809e-10 2.7059730000000005e-10 2.681072e-10 2.6536940000000005e-10 2.623293e-10 2.589115e-10 2.55009e-10 2.504609e-10 2.4501070000000003e-10 2.382095e-10 2.2915899999999998e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.08121 1.48354 1.78859 2.03656 2.24501 2.42378 2.57896 2.71489 2.83456 2.94006 3.03312 3.11516 3.18729 3.25041 3.30531 3.35267 3.39307 3.42695 3.45473 3.4768 3.49348 3.50509 3.51188 3.51409 3.51302 3.50952 3.50304 3.49286 3.47808 3.45749 3.42953 3.3921 3.34236 3.27634 3.18818 3.06941 2.9067 2.67837 2.34703 1.84238 1.0155 -0.51141 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.732289384175168e-19 2.3768931040216325e-19 2.865637082196672e-19 3.2629288188564484e-19 3.5969025354622087e-19 3.883323649962624e-19 4.131949417978368e-19 4.349733286043712e-19 4.541465762254848e-19 4.710495395749248e-19 4.859593952080896e-19 4.9910365220513285e-19 5.106601521709632e-19 5.207730910014528e-19 5.295690406496449e-19 5.371569491257536e-19 5.436297426737856e-19 5.490579170650561e-19 5.535087637176385e-19 5.57044767519744e-19 5.597171981232384e-19 5.615773251799872e-19 5.626652031055104e-19 5.630192841387072e-19 5.628478512402817e-19 5.622870894230016e-19 5.612488789727232e-19 5.596178631727488e-19 5.572498461272064e-19 5.539509644649792e-19 5.494712786332225e-19 5.43474331541568e-19 5.355051050297089e-19 5.249275349791872e-19 5.108027458902144e-19 4.917736941649728e-19 4.65704678367936e-19 4.2912217958520966e-19 3.7603565943162244e-19 2.951818162629504e-19 1.6270103584224002e-19 -8.193691456433281e-20 ] } }