{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.75429 7.234725 6.912719 6.678764 6.494904 6.343425 6.21461 6.102552 6.003388 5.914456 5.83384 5.760117 5.6922 5.629241 5.570566 5.515628 5.463979 5.415249 5.369124 5.32534 5.283672 5.243923 5.205925 5.16953 5.132736 5.09482 5.055711 5.015331 4.973595 4.93041 4.885669 4.839258 4.791046 4.740889 4.688623 4.634062 4.576996 4.517183 4.454346 4.388162 4.318256 4.244182 4.165413 4.081312 3.991106 3.893838 3.788307 3.672978 3.545844 3.40421 3.244337 3.060824 2.845445 2.58476 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.754290000000001e-10 7.234725000000001e-10 6.912719e-10 6.678764000000001e-10 6.494904e-10 6.343425e-10 6.214610000000001e-10 6.102552e-10 6.003388e-10 5.914456000000001e-10 5.83384e-10 5.760117000000001e-10 5.6922e-10 5.629241e-10 5.570566000000001e-10 5.515628000000001e-10 5.463979e-10 5.415249e-10 5.369124e-10 5.32534e-10 5.283672e-10 5.243923e-10 5.205925e-10 5.16953e-10 5.132736e-10 5.094820000000001e-10 5.055711e-10 5.015331e-10 4.973595000000001e-10 4.93041e-10 4.885669e-10 4.839258e-10 4.791045999999999e-10 4.740889e-10 4.688623e-10 4.6340620000000003e-10 4.5769960000000006e-10 4.5171830000000004e-10 4.4543460000000005e-10 4.3881620000000007e-10 4.318256e-10 4.2441820000000007e-10 4.1654130000000004e-10 4.081312e-10 3.991106e-10 3.8938380000000003e-10 3.7883070000000004e-10 3.6729780000000004e-10 3.5458440000000004e-10 3.40421e-10 3.244337e-10 3.0608240000000003e-10 2.8454449999999997e-10 2.5847600000000004e-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" [ 0.330739 0.547669 0.724468 0.877604 1.01619 1.14712 1.27899 1.44672 1.92739 2.09057 2.18499 2.2632 2.32897 2.38464 2.43176 2.47148 2.50469 2.53206 2.55418 2.57152 2.58447 2.59338 2.59854 2.6002 2.59843 2.59274 2.58249 2.56693 2.54518 2.51618 2.47866 2.43111 2.37171 2.29824 2.20798 2.09759 1.9629 1.79865 1.59787 1.35115 1.04553 0.662679 0.176073 -0.453739 -1.28708 -2.41929 -4.00646 -6.31473 -9.81882 -15.4105 -24.8659 -41.9527 -75.1269 -143.117 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.29902297752526e-20 8.774624749661459e-20 1.1607257016807119e-19 1.406076622704936e-19 1.6281158737044597e-19 1.8378888603940798e-19 2.04916789311966e-19 2.31790097994048e-19 3.0880192226052596e-19 3.34946240574138e-19 3.5007399235236595e-19 3.6260461580687998e-19 3.73142131528698e-19 3.82061448850176e-19 3.89610905149584e-19 3.95974750739832e-19 4.01295579341346e-19 4.05680736788604e-19 4.09224751503012e-19 4.12002925786368e-19 4.14077744527398e-19 4.1550528390829196e-19 4.1633200705143593e-19 4.1659796837268e-19 4.1631438310846196e-19 4.1540274460371597e-19 4.1376051355386597e-19 4.11267526711362e-19 4.07782792532412e-19 4.0313648029381195e-19 3.97125113563044e-19 3.8950676366837393e-19 3.79989834462414e-19 3.6821864273241593e-19 3.53757396433932e-19 3.3607096857120596e-19 3.1449125148786e-19 2.8817550027440997e-19 2.5600699781695795e-19 2.1647809590291e-19 1.67512373614602e-19 1.061728809642486e-19 2.82100046478282e-20 -7.26970023734526e-20 -2.06212950208872e-19 -3.87612990886986e-19 -6.419056597055639e-19 -1.011731285601882e-18 -1.573148397745188e-18 -2.4690343018257e-18 -3.98395639633806e-18 -6.72156356732118e-18 -1.203665637648546e-17 -2.2929871332817797e-17 ] } }