{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 9.36372 8.736316 8.347476 8.064963 7.842943 7.660022 7.504471 7.369155 7.24941 7.14202 7.044671 6.955646 6.873633 6.797607 6.726753 6.660412 6.598044 6.539199 6.483501 6.43063 6.380312 6.332313 6.286429 6.24248 6.19805 6.152264 6.105038 6.056277 6.005879 5.95373 5.899704 5.84366 5.785442 5.724875 5.66176 5.595875 5.526965 5.454738 5.378859 5.298939 5.214523 5.125075 5.029958 4.928402 4.819474 4.702017 4.574583 4.435318 4.281797 4.110767 3.917713 3.696111 3.43603 3.12124 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.363720000000002e-10 8.736316000000001e-10 8.347476000000001e-10 8.064963000000001e-10 7.842943e-10 7.660022e-10 7.504471e-10 7.369155000000001e-10 7.24941e-10 7.14202e-10 7.044671000000001e-10 6.955646e-10 6.873633e-10 6.797607000000001e-10 6.726753e-10 6.660412e-10 6.598044e-10 6.539199e-10 6.483501000000001e-10 6.43063e-10 6.380312e-10 6.332313e-10 6.286429e-10 6.24248e-10 6.19805e-10 6.152264e-10 6.105038000000001e-10 6.056277e-10 6.005879e-10 5.95373e-10 5.899704e-10 5.84366e-10 5.785442e-10 5.724875e-10 5.661760000000001e-10 5.595875000000001e-10 5.526965e-10 5.454738000000001e-10 5.378859e-10 5.298939e-10 5.214523e-10 5.125075000000001e-10 5.029958e-10 4.928402e-10 4.819474e-10 4.702017e-10 4.5745829999999996e-10 4.4353179999999997e-10 4.281797e-10 4.110767e-10 3.9177130000000003e-10 3.696111e-10 3.43603e-10 3.12124e-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" [ 0.615071 0.902425 1.13422 1.33066 1.50121 1.65162 1.78528 1.90456 2.01141 2.10712 2.19277 2.26924 2.33726 2.39744 2.45034 2.49643 2.53605 2.56954 2.59722 2.61941 2.63635 2.64823 2.65522 2.65751 2.65502 2.64691 2.63208 2.6092 2.57675 2.53276 2.47481 2.39999 2.30471 2.18448 2.03362 1.84502 1.60955 1.31556 0.947751 0.486107 -0.0962412 -0.835829 -1.7825 -3.0069 -4.61047 -6.74311 -9.63199 -13.6345 -19.3365 -27.7503 -40.7389 -62.026 -99.9139 -176.009 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.85452384451014e-20 1.44584424893745e-19 1.81722078181548e-19 2.1319523597984397e-19 2.40520358472714e-19 2.64618697224708e-19 2.8603339011475198e-19 3.05144153005104e-19 3.22263410339394e-19 3.37597842903408e-19 3.51320485773618e-19 3.6357233049381596e-19 3.74470335958284e-19 3.84112234941696e-19 3.92587749335556e-19 3.99972181441662e-19 4.0632000526556996e-19 4.1168569481283597e-19 4.16120519735748e-19 4.1967574968659396e-19 4.2238983690459e-19 4.2429322274578195e-19 4.2541314421294795e-19 4.2578004266213395e-19 4.2538110068026795e-19 4.24081735430094e-19 4.21705707481872e-19 4.1803992734328e-19 4.1284086416594997e-19 4.05792889152984e-19 3.96508275558954e-19 3.8452078998336595e-19 3.69255251014614e-19 3.49992281344032e-19 3.2582184464350795e-19 2.95604793326268e-19 2.5787834012546997e-19 2.10775949262504e-19 1.518464507050134e-19 7.78829277023838e-20 -1.541954018681208e-20 -1.339145693819586e-19 -2.855879850105e-19 -4.8175849207746e-19 -7.38678730575798e-19 -1.0803653282491738e-18 -1.543214931692166e-18 -2.1844877316272997e-18 -3.0980488483341e-18 -4.446088224649019e-18 -6.52709136748626e-18 -9.9376607900484e-18 -1.6007971599181257e-17 -2.81997507173706e-17 ] } }