{ "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" [ 8.14776 7.60183 7.263484 7.017658 6.824469 6.665302 6.529951 6.412207 6.308011 6.214567 6.12986 6.052395 5.981032 5.914879 5.853226 5.7955 5.741231 5.690028 5.641562 5.595557 5.551774 5.510008 5.470082 5.43184 5.405806 5.378406 5.349489 5.318878 5.28636 5.251684 5.214541 5.174554 5.13125 5.084031 5.032115 4.974466 4.909657 4.835654 4.74941 4.64606 4.517092 4.34547 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14776e-10 7.60183e-10 7.263484e-10 7.017658000000001e-10 6.824469e-10 6.665302e-10 6.529951e-10 6.412207000000001e-10 6.308011e-10 6.214567e-10 6.12986e-10 6.052395e-10 5.981032e-10 5.914879e-10 5.853226e-10 5.7955e-10 5.741231e-10 5.690028e-10 5.641562000000001e-10 5.595557000000001e-10 5.551774e-10 5.510008e-10 5.470082e-10 5.43184e-10 5.405806e-10 5.378406000000001e-10 5.349489000000001e-10 5.318878e-10 5.28636e-10 5.251684000000001e-10 5.214541e-10 5.174554e-10 5.13125e-10 5.084031000000001e-10 5.032115e-10 4.974466e-10 4.909657e-10 4.835654e-10 4.74941e-10 4.6460600000000003e-10 4.517092e-10 4.34547e-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" [ 0.556564 1.09572 1.5595 1.95902 2.30656 2.61146 2.88072 3.1196 3.3322 3.52169 3.69062 3.84105 3.97462 4.09272 4.19648 4.28686 4.36466 4.43057 4.48518 4.529 4.56248 4.58599 4.59988 4.60445 4.60221 4.59479 4.58093 4.55898 4.52683 4.48164 4.41964 4.33564 4.2224 4.06957 3.86184 3.57588 3.17451 2.59529 1.72618 0.347135 -2.03176 -6.7326 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.917138287789312e-20 1.7555369669429762e-19 2.4985944401376e-19 3.138696043679616e-19 3.6955165064724484e-19 4.1840201581543685e-19 4.615422235070977e-19 4.9981501862476805e-19 5.33877293582976e-19 5.642369383705153e-19 5.913025080256896e-19 6.154040509323841e-19 6.368043240564096e-19 6.557260299480576e-19 6.723502145654784e-19 6.868306868642688e-19 6.992956209740928e-19 7.098555670817857e-19 7.186050536079744e-19 7.256257915603201e-19 7.309898788867584e-19 7.347565961222592e-19 7.369820194485504e-19 7.37714214164256e-19 7.373553266011969e-19 7.361665115485632e-19 7.339458947521345e-19 7.304291170694785e-19 7.252781192336065e-19 7.180378830842112e-19 7.081043880352513e-19 6.946461044205312e-19 6.765030563665921e-19 6.520169910709056e-19 6.187349761270272e-19 5.729191334786305e-19 5.086125704495809e-19 4.158112962196032e-19 2.7656452392925444e-19 5.561715812614081e-20 -3.255238371076608e-19 -1.078681431719808e-18 ] } }