{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 8.82239 8.231257 7.864896 7.598715 7.389529 7.217184 7.070625 6.943132 6.830309 6.729127 6.637406 6.553528 6.476256 6.404625 6.337867 6.275361 6.216599 6.161156 6.108677 6.058863 6.011454 5.96623 5.922998 5.88159 5.8534 5.823732 5.792421 5.759275 5.724065 5.686517 5.646299 5.603001 5.556112 5.504983 5.448769 5.386346 5.31617 5.23604 5.142656 5.030748 4.891102 4.70527 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.82239e-10 8.231257e-10 7.864896e-10 7.598715e-10 7.389529e-10 7.217184e-10 7.070625e-10 6.943132e-10 6.830309e-10 6.729127e-10 6.637406e-10 6.553528e-10 6.476256e-10 6.404625e-10 6.337867e-10 6.275361000000001e-10 6.216599000000001e-10 6.161156e-10 6.108677000000001e-10 6.058863e-10 6.011454e-10 5.966230000000001e-10 5.922998e-10 5.881590000000001e-10 5.8534e-10 5.823732e-10 5.792421e-10 5.759275e-10 5.724065e-10 5.686517e-10 5.646299e-10 5.603001e-10 5.556112e-10 5.504983e-10 5.448769e-10 5.386345999999999e-10 5.316169999999999e-10 5.236040000000001e-10 5.142656e-10 5.030748e-10 4.891102e-10 4.70527e-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" [ 0.826605 1.07678 1.27054 1.42982 1.56465 1.68076 1.7818 1.87033 1.94821 2.01685 2.07737 2.13065 2.17742 2.21829 2.25378 2.28432 2.3103 2.33204 2.34983 2.36394 2.37458 2.38196 2.38627 2.38767 2.387 2.38477 2.38065 2.37419 2.36484 2.35187 2.33431 2.3109 2.27988 2.23883 2.18424 2.11079 2.00991 1.867 1.65489 1.31758 0.720923 -0.53643 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.32436721654757e-19 1.72519175595852e-19 2.0356295005623599e-19 2.29082419482588e-19 2.5068456703881e-19 2.69287439936184e-19 2.8547583264612e-19 2.99659902386922e-19 3.1213765401251398e-19 3.2313499442828996e-19 3.32831367417258e-19 3.4136776452321e-19 3.48861144640428e-19 3.55409240543586e-19 3.61095365417652e-19 3.6598841285788798e-19 3.7015086775301997e-19 3.73633999755336e-19 3.7648427198722197e-19 3.78744943217796e-19 3.8044965915637195e-19 3.8163206551226397e-19 3.82322603641518e-19 3.8254690837027795e-19 3.824395625358e-19 3.82082277146418e-19 3.8142218037321e-19 3.80387174267646e-19 3.78889139114856e-19 3.7681111602055795e-19 3.73997693851254e-19 3.7024699835106e-19 3.65277046432392e-19 3.5870011134982197e-19 3.49953829104816e-19 3.3818584172808603e-19 3.2202308384429397e-19 2.9912637756779997e-19 2.65142608984026e-19 2.1109958894257197e-19 1.155045985513182e-19 -8.594556117766199e-20 ] } }