{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" ] } "a" { "source-value" [ 12.8088 11.950559 11.418656 11.032199 10.728492 10.478271 10.265489 10.080386 9.916584 9.769682 9.636517 9.514737 9.402549 9.298551 9.201629 9.110879 9.025564 8.945069 8.868878 8.796554 8.727724 8.662065 8.599299 8.53918 8.498253 8.455179 8.40972 8.361597 8.310477 8.255963 8.197572 8.13471 8.066635 7.992403 7.910788 7.82016 7.718276 7.601938 7.466359 7.303885 7.10114 6.83134 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.28088e-09 1.1950559000000001e-09 1.1418656000000002e-09 1.1032199e-09 1.0728492e-09 1.0478271e-09 1.0265489e-09 1.0080386000000001e-09 9.916584e-10 9.769682e-10 9.636517e-10 9.514737e-10 9.402549e-10 9.298551e-10 9.201629e-10 9.110879000000001e-10 9.025563999999999e-10 8.945069000000001e-10 8.868878e-10 8.796554000000001e-10 8.727724e-10 8.662065000000001e-10 8.599299e-10 8.539180000000001e-10 8.498253e-10 8.455178999999999e-10 8.409720000000001e-10 8.361597e-10 8.310477000000001e-10 8.255963e-10 8.197571999999999e-10 8.13471e-10 8.066635e-10 7.992403e-10 7.910788000000001e-10 7.82016e-10 7.718276000000001e-10 7.601938e-10 7.466359e-10 7.303885e-10 7.101140000000001e-10 6.83134e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.345246 0.517505 0.6689 0.807657 0.937356 1.05885 1.17347 1.28121 1.38241 1.47728 1.56603 1.64882 1.72545 1.79586 1.86028 1.9186 1.97048 2.01582 2.05451 2.08641 2.11139 2.12931 2.14034 2.14407 2.14219 2.13588 2.12386 2.10446 2.07554 2.03399 1.97555 1.89423 1.7814 1.62421 1.40296 1.08638 0.621745 -0.0840934 -1.21063 -3.14111 -6.82032 -15.1993 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.531450696247168e-20 8.29134412147104e-20 1.0716959416531201e-19 1.2940091630254655e-19 1.501809868566605e-19 1.6964647149340802e-19 1.8801061992101762e-19 2.0527247083351681e-19 2.214864982360128e-19 2.366863478375424e-19 2.509056653471424e-19 2.641700855907456e-19 2.76447565035936e-19 2.8772849062298883e-19 2.9804971241418243e-19 3.07393606466688e-19 3.157056987753984e-19 3.2296996757410567e-19 3.2916878891998083e-19 3.342797323403328e-19 3.3828196953909125e-19 3.411530700435648e-19 3.4292027085630723e-19 3.4351788273586565e-19 3.4321667353115517e-19 3.422057000834304e-19 3.4027988378522885e-19 3.371716611408768e-19 3.3253816635352326e-19 3.2588112249409927e-19 3.16518002322144e-19 3.0348910204179843e-19 2.8541174322931204e-19 2.6022712892695683e-19 2.2477897119175683e-19 1.7405726373047039e-19 9.961453030992961e-20 -1.3473247944358272e-20 -1.9396430824391044e-19 -5.032613005361088e-19 -1.0927357250374656e-18 -2.435196311252544e-18 ] } }