{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.4467 8.813736 8.421451 8.136434 7.912446 7.727905 7.570975 7.434459 7.313653 7.205311 7.1071 7.017286 6.934546 6.857846 6.786364 6.719436 6.656515 6.597149 6.540957 6.487617 6.436854 6.38843 6.342138 6.2978 6.267616 6.235848 6.202321 6.166829 6.129128 6.088923 6.045859 5.999497 5.94929 5.894543 5.834351 5.767511 5.69237 5.606569 5.506577 5.38675 5.237222 5.03824 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.4467e-10 8.813736e-10 8.421450999999999e-10 8.136433999999999e-10 7.912446000000001e-10 7.727905e-10 7.570975e-10 7.434459000000001e-10 7.313653000000001e-10 7.205311e-10 7.1071e-10 7.017286000000001e-10 6.934546e-10 6.857846000000001e-10 6.786364e-10 6.719436000000001e-10 6.656515e-10 6.597149e-10 6.540957e-10 6.487617000000001e-10 6.436854000000001e-10 6.38843e-10 6.342138000000001e-10 6.2978e-10 6.267616e-10 6.235848e-10 6.202321000000001e-10 6.166829e-10 6.129128e-10 6.088923000000001e-10 6.045859e-10 5.999497e-10 5.94929e-10 5.894543e-10 5.834351e-10 5.767511e-10 5.692370000000001e-10 5.606569e-10 5.506577e-10 5.38675e-10 5.237222e-10 5.038240000000001e-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" [ 1.19945 1.44999 1.62066 1.75047 1.85462 1.94081 2.01355 2.07571 2.1293 2.17574 2.21608 2.25117 2.28163 2.30801 2.33071 2.35003 2.36641 2.38004 2.39113 2.39988 2.40645 2.41099 2.41364 2.41449 2.41408 2.41273 2.41023 2.40633 2.40069 2.39288 2.38234 2.36833 2.34981 2.32536 2.29297 2.24819 2.18616 2.10465 1.98778 1.81222 1.52941 1.01899 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9217307636512997e-19 2.32314009753366e-19 2.59658358365844e-19 2.8045621325179796e-19 2.9714288289490796e-19 3.1095204330335397e-19 3.2260627613907e-19 3.3256540609601396e-19 3.4115147067762e-19 3.4859197896591593e-19 3.5505515950747195e-19 3.60677197316178e-19 3.6555742734334197e-19 3.6978396930383397e-19 3.7342091026301393e-19 3.7651631551990193e-19 3.79140680846394e-19 3.81324447598536e-19 3.8310126148564195e-19 3.84503166040392e-19 3.8555579608893e-19 3.8628318428076596e-19 3.86707761088776e-19 3.8684394610266593e-19 3.8677825686067193e-19 3.8656196301508195e-19 3.8616141885658196e-19 3.8553656996932197e-19 3.84632942347746e-19 3.8338164239659194e-19 3.81692948224356e-19 3.7944829876012196e-19 3.76481067633954e-19 3.7256374576382394e-19 3.67374295646298e-19 3.60199748679246e-19 3.50261447018544e-19 3.3720210527480996e-19 3.18477466953252e-19 2.9034965396674797e-19 2.45038496580594e-19 1.63260196827966e-19 ] } }