{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.4725 6.038819 5.77004 5.574758 5.42129 5.29485 5.187328 5.093793 5.011022 4.93679 4.8695 4.807963 4.751273 4.698721 4.649745 4.603888 4.560777 4.520102 4.481601 4.445055 4.410274 4.377096 4.345379 4.315 4.294319 4.272553 4.249582 4.225264 4.199433 4.171886 4.14238 4.110615 4.076215 4.038704 3.997463 3.951667 3.900183 3.841396 3.772886 3.690785 3.588334 3.452 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.4725e-10 6.038819000000001e-10 5.77004e-10 5.574758e-10 5.421290000000001e-10 5.294850000000001e-10 5.187328e-10 5.093793e-10 5.011021999999999e-10 4.936790000000001e-10 4.869500000000001e-10 4.807963e-10 4.751273000000001e-10 4.698721e-10 4.6497450000000004e-10 4.603888000000001e-10 4.560777e-10 4.520102e-10 4.4816010000000006e-10 4.445055e-10 4.410274e-10 4.377096e-10 4.3453790000000003e-10 4.3150000000000006e-10 4.2943189999999997e-10 4.2725530000000003e-10 4.2495820000000005e-10 4.2252640000000003e-10 4.199433e-10 4.171886e-10 4.1423800000000004e-10 4.1106150000000004e-10 4.0762150000000005e-10 4.0387040000000005e-10 3.9974630000000005e-10 3.951667e-10 3.9001830000000004e-10 3.841396e-10 3.772886e-10 3.690785e-10 3.5883340000000004e-10 3.452e-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" [ 2.32005 3.20937 3.79078 4.25362 4.64882 4.99715 5.31018 5.59335 5.84875 6.07663 6.27681 6.44976 6.59692 6.72061 6.82375 6.90935 6.97955 7.0359 7.07976 7.11245 7.13529 7.14972 7.15724 7.1594 7.15853 7.15596 7.15177 7.14601 7.1387 7.12965 7.11819 7.1026 7.07869 7.03729 6.959 6.80287 6.48069 5.79413 4.2657 0.620707 -9.12685 -41.0561 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.7171298690870404e-19 5.141977581496896e-19 6.073499090596224e-19 6.815050517767296e-19 7.448230718307456e-19 8.006316900630721e-19 8.507846248239745e-19 8.96153460195168e-19 9.370730510904e-19 9.735834519251905e-19 1.005655823520365e-18 1.033365468177101e-18 1.0569430993287937e-18 1.0767604219514688e-18 1.0932852716184002e-18 1.106999903492448e-18 1.118247183370464e-18 1.127275448628672e-18 1.134302595287501e-18 1.139540110660896e-18 1.1431994820628034e-18 1.1455114229266176e-18 1.1467162597454592e-18 1.147062329895552e-18 1.1469229405295424e-18 1.1465111811379969e-18 1.1458398691338817e-18 1.1449170154003009e-18 1.1437458242904961e-18 1.1422958544486721e-18 1.1404597600412352e-18 1.137961966689408e-18 1.1341311623890753e-18 1.1274981511789632e-18 1.11495471041472e-18 1.0899399268341697e-18 1.0383210004652352e-18 9.283219623875904e-19 6.83440481134656e-19 9.944822437669057e-20 -1.462282569154848e-18 -6.577912356122688e-18 ] } }