{ "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 6.40155 5.972622 5.70679 5.513649 5.361864 5.236809 5.130466 5.037957 4.956092 4.882674 4.816122 4.755259 4.69919 4.647215 4.598775 4.553421 4.510783 4.470553 4.432475 4.396329 4.36193 4.329115 4.297746 4.2677 4.247246 4.225718 4.202999 4.178948 4.153399 4.126155 4.096972 4.065555 4.031533 3.994433 3.953644 3.90835 3.85743 3.799288 3.731528 3.650327 3.549 3.41416 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.40155e-10 5.972622e-10 5.70679e-10 5.513649000000001e-10 5.361864e-10 5.236809000000001e-10 5.130466000000001e-10 5.037956999999999e-10 4.956092000000001e-10 4.882674e-10 4.816122e-10 4.755258999999999e-10 4.69919e-10 4.6472150000000004e-10 4.598775e-10 4.5534210000000005e-10 4.5107830000000003e-10 4.470553e-10 4.432475e-10 4.396329e-10 4.3619300000000005e-10 4.329115e-10 4.297746e-10 4.2676999999999996e-10 4.247246e-10 4.2257179999999997e-10 4.202999e-10 4.178948e-10 4.1533990000000006e-10 4.126155e-10 4.0969720000000003e-10 4.065555e-10 4.0315329999999996e-10 3.994433e-10 3.953644e-10 3.9083500000000003e-10 3.8574300000000003e-10 3.7992880000000003e-10 3.731528e-10 3.650327e-10 3.549e-10 3.41416e-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" [ 0.0017226 0.0396534 0.0918515 0.129509 0.214011 0.374895 0.598351 0.857754 1.1303 1.40048 1.65871 1.89915 2.11808 2.31558 2.49992 2.66845 2.81795 2.94621 3.05209 3.13552 3.19725 3.23875 3.26198 3.2692 3.26595 3.25577 3.238 3.21208 3.17759 3.13431 3.0824 3.02247 2.95581 2.88453 2.81166 2.74085 2.67493 2.60338 2.34095 1.63137 0.242866 -2.06689 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.75990944699008e-22 6.353175041523072e-21 1.4716232588541122e-20 2.0749629198318724e-20 3.428834207940288e-20 6.00648004254816e-20 9.586639832323008e-20 1.3742734051976833e-19 1.8109402344902403e-19 2.243816313897984e-19 2.657546382687168e-19 3.04277372939232e-19 3.393538256984064e-19 3.7099681395920644e-19 4.005313377870336e-19 4.27532820377376e-19 4.514853608583361e-19 4.720348781967169e-19 4.889987242577473e-19 5.023656838050817e-19 5.1225592008528e-19 5.189049530616e-19 5.226268093517185e-19 5.237835808719361e-19 5.23262873470176e-19 5.216318576702017e-19 5.1878478981504e-19 5.146319480139264e-19 5.091060408487872e-19 5.021718204339649e-19 4.93854921595392e-19 4.842530771069376e-19 4.735729677526848e-19 4.621526527996224e-19 4.504775917638528e-19 4.391325791119681e-19 4.285710308276544e-19 4.1710745710583044e-19 3.75061536046176e-19 2.613742873874496e-19 3.891142271872128e-20 -3.311522835765312e-19 ] } }