{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.98846 5.587212 5.338534 5.157857 5.015866 4.898882 4.799401 4.712861 4.63628 4.567599 4.505341 4.448406 4.395956 4.347334 4.302021 4.259593 4.219706 4.182073 4.146452 4.112639 4.080459 4.049762 4.020417 3.99231 3.973175 3.953037 3.931784 3.909285 3.885385 3.859899 3.8326 3.80321 3.771383 3.736677 3.69852 3.656149 3.608516 3.554125 3.490738 3.414777 3.319988 3.19385 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.98846e-10 5.587212e-10 5.338534e-10 5.157857e-10 5.015866e-10 4.898882000000001e-10 4.799400999999999e-10 4.712861e-10 4.63628e-10 4.5675990000000005e-10 4.5053409999999996e-10 4.448406e-10 4.395956e-10 4.347334e-10 4.302021e-10 4.259593e-10 4.219706000000001e-10 4.182073e-10 4.1464520000000003e-10 4.112639e-10 4.0804590000000004e-10 4.0497620000000006e-10 4.020417e-10 3.99231e-10 3.973175e-10 3.953037e-10 3.931784e-10 3.909285e-10 3.885385e-10 3.859899e-10 3.8326e-10 3.80321e-10 3.7713830000000003e-10 3.736677e-10 3.69852e-10 3.656149e-10 3.608516e-10 3.554125e-10 3.490738e-10 3.414777e-10 3.319988e-10 3.19385e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 1.37761 3.25674 3.70405 4.09667 4.44386 4.75225 5.0268 5.27139 5.48911 5.68249 5.85362 6.00429 6.13602 6.25013 6.34777 6.42996 6.49758 6.55146 6.59231 6.62079 6.63748 6.64293 6.64029 6.63157 6.61538 6.58994 6.55296 6.50146 6.43152 6.33783 6.21565 6.05184 5.83057 5.53165 5.12165 4.54603 3.71061 2.43857 0.357039 -3.47203 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.20717455276474e-19 5.21787273101316e-19 5.9345423611677e-19 6.563588951208779e-19 7.11984865676724e-19 7.6139439089265e-19 8.053821503791199e-19 8.44569788670126e-19 8.794523783455739e-19 9.104352700938659e-19 9.37853318831508e-19 9.619933141759859e-19 9.83098786975668e-19 1.001381224546242e-18 1.0170248772006179e-18 1.030193166955464e-18 1.041027085354572e-18 1.0496596130585639e-18 1.0562045046084539e-18 1.060767503662086e-18 1.063441536464232e-18 1.064314722729762e-18 1.063891748098386e-18 1.062494650073538e-18 1.059900726103092e-18 1.0558247887461959e-18 1.0498999395536638e-18 1.041648729888564e-18 1.0304431065103679e-18 1.015432313626422e-18 9.958569195122099e-19 9.69611664070656e-19 9.34160301690138e-19 8.8626803774661e-19 8.205787957526099e-19 7.28354304346302e-19 5.945052639886739e-19 3.9070198743733794e-19 5.72039543226726e-20 -5.56280533854702e-19 ] } }