{ "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" [ 4.24195 3.957724 3.781573 3.653589 3.553009 3.470143 3.399676 3.338375 3.284128 3.235478 3.191378 3.151048 3.113894 3.079453 3.047355 3.017301 2.989047 2.962389 2.937157 2.913205 2.890411 2.868666 2.84788 2.82797 2.807842 2.7871 2.765706 2.743617 2.720785 2.697161 2.672686 2.647297 2.620923 2.593485 2.564893 2.535046 2.503828 2.471108 2.436734 2.400528 2.362286 2.321765 2.278675 2.232668 2.183322 2.130112 2.072382 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.24195e-10 3.957724e-10 3.781573e-10 3.6535890000000003e-10 3.553009e-10 3.4701430000000005e-10 3.3996760000000003e-10 3.3383750000000004e-10 3.284128e-10 3.235478e-10 3.191378e-10 3.151048e-10 3.113894e-10 3.079453e-10 3.0473550000000004e-10 3.017301e-10 2.9890469999999997e-10 2.962389e-10 2.937157e-10 2.9132050000000004e-10 2.890411e-10 2.868666e-10 2.84788e-10 2.82797e-10 2.807842e-10 2.7871e-10 2.7657060000000004e-10 2.743617e-10 2.720785e-10 2.697161e-10 2.672686e-10 2.6472970000000003e-10 2.620923e-10 2.593485e-10 2.564893e-10 2.535046e-10 2.503828e-10 2.4711080000000004e-10 2.436734e-10 2.4005280000000003e-10 2.3622860000000004e-10 2.3217650000000002e-10 2.278675e-10 2.2326679999999998e-10 2.1833220000000001e-10 2.1301120000000002e-10 2.0723820000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.13244 1.57826 1.90967 2.17142 2.38607 2.56993 2.73172 2.87315 2.99321 3.09225 3.17253 3.23705 3.2887 3.32999 3.36304 3.38967 3.41147 3.42982 3.44579 3.45964 3.47116 3.47999 3.48565 3.48764 3.48526 3.47706 3.46147 3.43729 3.40272 3.35568 3.29373 3.21405 3.11331 2.98763 2.83235 2.64186 2.40927 2.12593 1.78068 1.35873 0.840097 0.197353 -0.607108 -1.62482 -2.92794 -4.62221 -6.8667 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8143689074069598e-19 2.5286512943768396e-19 3.0596286526507796e-19 3.4789983866002795e-19 3.82290560108838e-19 4.1174817970156194e-19 4.37669795463048e-19 4.603293795977099e-19 4.795651122655139e-19 4.954330696486499e-19 5.08295343666402e-19 5.1863258730897e-19 5.2690782962358e-19 5.33523216945366e-19 5.388184107207359e-19 5.43085007097078e-19 5.465777521591979e-19 5.49517746282588e-19 5.520764223670859e-19 5.542954370051759e-19 5.561411444875439e-19 5.5755586645536595e-19 5.5846269843021e-19 5.587815315803759e-19 5.584002135414839e-19 5.57086428701604e-19 5.545886353291979e-19 5.50714572228186e-19 5.451758476044479e-19 5.37639208718112e-19 5.277137244704819e-19 5.1494758105077e-19 4.988072536398539e-19 4.78671097703742e-19 4.5379249893099e-19 4.2327263622992395e-19 3.8600760989971795e-19 3.4061153715196195e-19 2.85296388863112e-19 2.17692545791482e-19 1.345983783693498e-19 3.1619436524980197e-20 -9.726942519144719e-20 -2.60324863845588e-19 -4.69107705375396e-19 -7.40559685944114e-19 -1.1001666292687799e-18 ] } }