{ "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" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" ] } "a" { "source-value" [ 17.1748 16.024032 15.310831 14.792653 14.385428 14.049921 13.764613 13.516419 13.296786 13.099813 12.921259 12.757971 12.607545 12.468099 12.338141 12.216461 12.102066 11.994135 11.891974 11.794999 11.702709 11.61467 11.53051 11.4499 11.368406 11.284427 11.197805 11.108368 11.015929 10.920277 10.821183 10.718388 10.611605 10.500513 10.384749 10.263903 10.137509 10.00503 9.865854 9.719266 9.564431 9.400367 9.225903 9.03963 8.839835 8.624397 8.390659 8.13522 7.853634 7.539932 7.185833 6.779373 6.302336 5.72495 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.7174800000000002e-09 1.6024032e-09 1.5310831e-09 1.4792653e-09 1.4385428e-09 1.4049921e-09 1.3764613e-09 1.3516419e-09 1.3296786e-09 1.3099813e-09 1.2921258999999999e-09 1.2757971e-09 1.2607545e-09 1.2468099000000001e-09 1.2338141000000002e-09 1.2216461e-09 1.2102066e-09 1.1994135e-09 1.1891974e-09 1.1794999e-09 1.1702709e-09 1.161467e-09 1.153051e-09 1.14499e-09 1.1368406000000002e-09 1.1284427000000001e-09 1.1197805000000002e-09 1.1108368e-09 1.1015929e-09 1.0920277e-09 1.0821183e-09 1.0718388e-09 1.0611605e-09 1.0500513000000001e-09 1.0384749e-09 1.0263903000000001e-09 1.0137509e-09 1.000503e-09 9.865854000000002e-10 9.719266e-10 9.564431e-10 9.400367e-10 9.225903000000001e-10 9.039630000000001e-10 8.839835000000001e-10 8.624397000000001e-10 8.390659e-10 8.13522e-10 7.853634e-10 7.539932000000001e-10 7.185833e-10 6.779373e-10 6.302336e-10 5.72495e-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 0.0038379 0.0164924 0.0367422 0.061236 0.0870092 0.11214 0.135591 0.156903 0.175961 0.192825 0.207639 0.220577 0.231814 0.24151 0.249811 0.256842 0.262709 0.267505 0.271305 0.274175 0.276171 0.27734 0.277721 0.277309 0.275969 0.273526 0.269764 0.264418 0.257166 0.247609 0.235248 0.219465 0.199478 0.174298 0.143386 0.105191 0.0578686 -0.000695922 -0.0731788 -0.163041 -0.27493 -0.415422 -0.594406 -0.827591 -1.13829 -1.56786 -2.18318 -3.09594 -4.50306 -6.78608 -10.754 -18.2574 -34.1673 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 6.148993703628599e-22 2.64237379185816e-21 5.88674943217548e-21 9.8110888359624e-21 1.394041071830328e-20 1.7966808773676e-20 2.1724073198069397e-20 2.5138632040450196e-20 2.8192060269527396e-20 3.0893970945104995e-20 3.3267435410712593e-20 3.53403315397818e-20 3.71406974234076e-20 3.8694167887733997e-20 4.00241347116174e-20 4.11506251029828e-20 4.20906221341506e-20 4.2859026047816995e-20 4.3467853168737e-20 4.3927677862695e-20 4.42474723188414e-20 4.4434766767355993e-20 4.44958096971114e-20 4.4429800019790604e-20 4.42151083508346e-20 4.3823696599148396e-20 4.3220957749437596e-20 4.2364434120901195e-20 4.1202535625924397e-20 3.9671335416810594e-20 3.76908848795232e-20 3.5162169498080996e-20 3.1959899059705194e-20 2.79256182952932e-20 2.29729698842724e-20 1.68534562307094e-20 9.27157187622924e-21 -1.1149899674865478e-22 -1.1724536346415919e-20 -2.6122048058399397e-20 -4.4048642198561996e-20 -6.65579421649548e-20 -9.523434043094039e-20 -1.325946962708694e-19 -1.8237416407158598e-19 -2.5119886573832397e-19 -3.49783998381612e-19 -4.96024272826596e-19 -7.214697513500039e-19 -1.0872498812454719e-18 -1.7229807522035999e-18 -2.9251579677591598e-18 -5.474204970686819e-18 ] } }