{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 11.6675 10.885736 10.401229 10.04921 9.772565 9.544641 9.35082 9.182211 9.033005 8.899194 8.777895 8.666967 8.564776 8.470045 8.381759 8.299096 8.221383 8.148061 8.078659 8.01278 7.950083 7.890275 7.833102 7.77834 7.722978 7.665928 7.607082 7.546325 7.483527 7.418548 7.351229 7.281397 7.208855 7.133386 7.054744 6.972649 6.886784 6.796787 6.702239 6.602656 6.497471 6.386016 6.267496 6.140955 6.005226 5.858871 5.700084 5.526555 5.335264 5.122154 4.881602 4.605479 4.281409 3.88917 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1667500000000001e-09 1.0885736e-09 1.0401229e-09 1.004921e-09 9.772565000000001e-10 9.544641e-10 9.35082e-10 9.182211000000001e-10 9.033004999999999e-10 8.899194e-10 8.777895e-10 8.666967e-10 8.564776000000001e-10 8.470045000000001e-10 8.381759000000001e-10 8.299096000000001e-10 8.221383e-10 8.148061000000001e-10 8.078659000000001e-10 8.012779999999999e-10 7.950083e-10 7.890275e-10 7.833102e-10 7.77834e-10 7.722978e-10 7.665928e-10 7.607082e-10 7.546325000000001e-10 7.483526999999999e-10 7.418548000000001e-10 7.351229e-10 7.281397e-10 7.208855e-10 7.133386e-10 7.054744000000001e-10 6.972649e-10 6.886784e-10 6.796787000000001e-10 6.702239e-10 6.602656e-10 6.497471000000001e-10 6.386016e-10 6.267496000000001e-10 6.140955e-10 6.005226e-10 5.858871e-10 5.700084000000001e-10 5.526555e-10 5.335264e-10 5.122154e-10 4.881602000000001e-10 4.6054790000000003e-10 4.281409e-10 3.88917e-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" [ 0.189002 0.275908 0.345219 0.403581 0.454133 0.498419 0.537545 0.572554 0.603825 0.631732 0.656612 0.678741 0.698343 0.715607 0.730693 0.743739 0.755165 0.764824 0.772778 0.779108 0.783888 0.787184 0.789057 0.789675 0.788954 0.786608 0.782321 0.775713 0.766325 0.753599 0.736854 0.715254 0.687765 0.653218 0.609987 0.555977 0.488606 0.404909 0.300406 0.169329 0.00410934 -0.205305 -0.47269 -0.818038 -1.26959 -1.86931 -2.68023 -3.80102 -5.39393 -7.73657 -11.3441 -17.2392 -27.6956 -48.613 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0281458817926797e-20 4.420533507336719e-20 5.531018154128459e-20 6.46608048126354e-20 7.276012813283219e-20 7.985552757416459e-20 8.6124203872353e-20 9.17332640503236e-20 9.674343060250499e-20 1.0121462493500878e-19 1.0520084040040079e-19 1.087462970737794e-19 1.118868837117462e-19 1.1465288145268378e-19 1.170699251227362e-19 1.191601247594526e-19 1.2099077178146098e-19 1.2253831419224158e-19 1.2381268548692518e-19 1.248268632962472e-19 1.255927037272992e-19 1.2612078114586558e-19 1.264208688294138e-19 1.2651988334539499e-19 1.264043664100836e-19 1.260284957717472e-19 1.253416426487514e-19 1.2428292432900418e-19 1.22778800905005e-19 1.207398709205766e-19 1.180570261469436e-19 1.145963246175036e-19 1.1019210126830098e-19 1.0465706165082119e-19 9.773069184437578e-20 8.90773358441418e-20 7.828331164322039e-20 6.48735738696306e-20 4.81303473913404e-20 2.71294967258586e-20 6.583888529161561e-22 -3.2893487384336996e-20 -7.573328731254599e-20 -1.310641369324092e-19 -2.03410743276006e-19 -2.99496480370254e-19 -4.2942018797458195e-19 -6.089905429366679e-19 -8.642028611431619e-19 -1.239535168130538e-18 -1.8175251953759396e-18 -2.76202434288528e-18 -4.43732431846104e-18 -7.7886612708642e-18 ] } }