{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14816 7.602204 7.263842 7.018004 6.824805 6.665631 6.530273 6.412523 6.308323 6.214874 6.130163 6.052695 5.981328 5.915172 5.853516 5.795787 5.741516 5.69031 5.641842 5.595835 5.552049 5.510282 5.470354 5.43211 5.393447 5.353605 5.31251 5.270079 5.226223 5.180844 5.133831 5.085062 5.034402 4.981697 4.926776 4.869443 4.809479 4.746628 4.680599 4.611054 4.537596 4.45976 4.37699 4.288618 4.193829 4.09162 3.980729 3.859542 3.725951 3.577123 3.409129 3.216295 2.989976 2.71605 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.148160000000001e-10 7.602204000000001e-10 7.263842e-10 7.018004e-10 6.824805e-10 6.665631000000001e-10 6.530273e-10 6.412523e-10 6.308323e-10 6.214874e-10 6.130163e-10 6.052695e-10 5.981328e-10 5.915172000000001e-10 5.853516e-10 5.795787e-10 5.741516e-10 5.690310000000001e-10 5.641842e-10 5.595835e-10 5.552049e-10 5.510282000000001e-10 5.470354000000001e-10 5.43211e-10 5.393447000000001e-10 5.353605000000001e-10 5.31251e-10 5.270079e-10 5.226223e-10 5.180844e-10 5.133831e-10 5.085062e-10 5.034402e-10 4.981697e-10 4.926776000000001e-10 4.869443000000001e-10 4.809478999999999e-10 4.746628000000001e-10 4.680599e-10 4.6110540000000006e-10 4.5375959999999997e-10 4.45976e-10 4.3769900000000004e-10 4.2886179999999996e-10 4.193829e-10 4.09162e-10 3.9807290000000005e-10 3.859542e-10 3.7259509999999997e-10 3.577123e-10 3.409129e-10 3.216295e-10 2.989976e-10 2.71605e-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 0 0 0 0 0 0.0581053 0.497703 1.20415 2.00086 2.76119 3.40857 3.90538 4.24068 4.42023 4.48066 4.52247 4.55661 4.58361 4.60393 4.61801 4.62621 4.62887 4.62602 4.61682 4.60018 4.57483 4.53921 4.49153 4.42959 4.35076 4.25186 4.12902 3.97748 3.79138 3.56342 3.28445 2.94287 2.52386 2.00821 1.37078 0.578117 -0.414963 -1.67065 -3.27625 -5.3575 -12.9633 -26.0532 -39.7398 -52.7789 -80.0315 -127.731 -200.134 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.309495397156019e-21 7.974081172717019e-20 1.9292609938311e-19 3.2057311399052396e-19 4.42391410003446e-19 5.46113120935338e-19 6.25710858289092e-19 6.79431840827112e-19 7.08198922290582e-19 7.17880875689844e-19 7.24579576196598e-19 7.300494072250739e-19 7.343752841368739e-19 7.37630907057162e-19 7.398867717578339e-19 7.41200556597714e-19 7.41626735582358e-19 7.411701152416679e-19 7.396961127383879e-19 7.37030090819412e-19 7.32968573052222e-19 7.272616198819139e-19 7.196224416910019e-19 7.09698559620006e-19 6.97068601214184e-19 6.812230743039239e-19 6.615419365318679e-19 6.372625518202319e-19 6.07446044661492e-19 5.709228261128279e-19 5.262269045541299e-19 4.71499755089958e-19 4.0436695194872396e-19 3.21750713816514e-19 2.19623168635452e-19 9.26245549118178e-20 -6.64844022574542e-20 -2.6766763935921e-19 -5.2491311971425e-19 -8.583661316654999e-19 -2.07694963595322e-18 -4.17418282809288e-18 -6.36701789998332e-18 -8.45611203482226e-18 -1.2822459928397097e-17 -2.04647623637454e-17 -3.2065001846895594e-17 ] } }