{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cu" ] } "a" { "source-value" [ 3.52942 3.292936 3.146373 3.039888 2.956203 2.887256 2.828625 2.777621 2.732486 2.692008 2.655315 2.621759 2.590847 2.562191 2.535484 2.510479 2.486971 2.464791 2.443796 2.423868 2.404902 2.38681 2.369515 2.35295 2.336203 2.318945 2.301144 2.282765 2.263769 2.244112 2.223748 2.202624 2.18068 2.157851 2.134061 2.109227 2.083253 2.056029 2.027428 1.997304 1.965485 1.93177 1.895917 1.857638 1.81658 1.772308 1.724274 1.671782 1.613916 1.54945 1.476682 1.393154 1.295123 1.17647 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.52942e-10 3.292936e-10 3.1463730000000003e-10 3.039888e-10 2.956203e-10 2.887256e-10 2.828625e-10 2.777621e-10 2.7324860000000003e-10 2.692008e-10 2.6553149999999997e-10 2.621759e-10 2.590847e-10 2.562191e-10 2.5354839999999997e-10 2.5104790000000003e-10 2.4869710000000004e-10 2.464791e-10 2.443796e-10 2.4238680000000004e-10 2.404902e-10 2.38681e-10 2.369515e-10 2.35295e-10 2.336203e-10 2.318945e-10 2.301144e-10 2.282765e-10 2.263769e-10 2.244112e-10 2.223748e-10 2.202624e-10 2.1806800000000004e-10 2.157851e-10 2.1340610000000001e-10 2.1092270000000001e-10 2.0832530000000002e-10 2.056029e-10 2.027428e-10 1.9973040000000002e-10 1.965485e-10 1.93177e-10 1.8959170000000001e-10 1.857638e-10 1.81658e-10 1.7723080000000001e-10 1.7242740000000002e-10 1.671782e-10 1.613916e-10 1.54945e-10 1.4766820000000001e-10 1.393154e-10 1.295123e-10 1.17647e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.09689 1.44141 1.6981 1.9051 2.07847 2.22683 2.35551 2.46805 2.56699 2.6542 2.73113 2.79894 2.85854 2.91071 2.95608 2.9952 3.02853 3.05648 3.0794 3.0976 3.11136 3.12093 3.12652 3.12834 3.12638 3.12003 3.10849 3.09084 3.06593 3.03242 2.98869 2.93274 2.86216 2.77399 2.66456 2.52932 2.36254 2.15697 1.90336 1.58973 1.20043 0.714742 0.104763 -0.667606 -1.65549 -2.93455 -4.61529 -6.86375 -9.93865 -14.2598 -20.5443 -30.0985 -45.5089 -72.5053 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7574115280682598e-19 2.30939342201394e-19 2.7206561421954e-19 3.0523067054334e-19 3.3300760684699797e-19 3.56777499389022e-19 3.77394308315334e-19 3.9542520415436996e-19 4.11277139771166e-19 4.2524972219627994e-19 4.37575267041642e-19 4.484396267967959e-19 4.57988599535436e-19 4.663471550350139e-19 4.73616230423472e-19 4.7988394541568e-19 4.852240001368019e-19 4.89702083828832e-19 4.9337427267396e-19 4.9629023414784e-19 4.984948291962239e-19 5.000281122349619e-19 5.00923728973368e-19 5.01215325120756e-19 5.00901298500492e-19 4.99883916337902e-19 4.98035004502266e-19 4.9520716274325595e-19 4.912161407479619e-19 4.85847246847428e-19 4.78840928426946e-19 4.698767501597159e-19 4.58568587476944e-19 4.444421960949659e-19 4.2690957718910396e-19 4.052417403908879e-19 3.78520638489036e-19 3.4558469342389793e-19 3.0495189180902396e-19 2.54702826036882e-19 1.92330089675262e-19 1.1451429317384278e-19 1.6784883070774198e-20 -1.069622733918204e-19 -2.6523873958206595e-19 -4.7016674413047e-19 -7.39450979713386e-19 -1.0996939871617499e-18 -1.59234728035041e-18 -2.28467183655132e-18 -3.29155974218862e-18 -4.8223113418449e-18 -7.291329621904259e-18 -1.161662975011602e-17 ] } }