{ "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 10.7376 10.018143 9.572253 9.248289 8.993693 8.783935 8.605561 8.450391 8.313077 8.189931 8.078299 7.976212 7.882166 7.794985 7.713736 7.637661 7.566142 7.498664 7.434793 7.374165 7.316465 7.261424 7.208807 7.15841 7.124101 7.087992 7.049884 7.009542 6.966689 6.92099 6.872041 6.819344 6.762276 6.700047 6.63163 6.555656 6.470247 6.372722 6.259065 6.122864 5.952903 5.72673 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.07376e-09 1.0018143e-09 9.572253e-10 9.248289e-10 8.993693000000001e-10 8.783935e-10 8.605561e-10 8.450391e-10 8.313077e-10 8.189931e-10 8.078299e-10 7.976212000000001e-10 7.882166e-10 7.794985e-10 7.713736e-10 7.637660999999999e-10 7.566142e-10 7.498664e-10 7.434793e-10 7.374164999999999e-10 7.316465000000001e-10 7.261424e-10 7.208807e-10 7.15841e-10 7.124101e-10 7.087992e-10 7.049884e-10 7.009542e-10 6.966689e-10 6.92099e-10 6.872041e-10 6.819344e-10 6.762276e-10 6.700047e-10 6.63163e-10 6.555656e-10 6.470247e-10 6.372722000000001e-10 6.259065e-10 6.122864000000001e-10 5.952903e-10 5.72673e-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" [ 0.705052 1.13618 1.43287 1.65874 1.83889 1.98622 2.1087 2.21162 2.29871 2.37464 2.44241 2.50224 2.5546 2.60002 2.63906 2.67228 2.70017 2.72321 2.74182 2.75637 2.7672 2.77462 2.77889 2.78027 2.77961 2.77748 2.77382 2.7686 2.76133 2.7514 2.738 2.72007 2.69619 2.66441 2.62203 2.56516 2.48799 2.38145 2.2305 2.00817 1.6604 1.05906 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1296178308482816e-19 1.8203610330205441e-19 2.295710814645696e-19 2.6575944479857925e-19 2.946226566222912e-19 3.1822752477653766e-19 3.37850984028096e-19 3.543405858093696e-19 3.682939419999168e-19 3.804592690816512e-19 3.9131722004081286e-19 4.009030427630592e-19 4.092920395495681e-19 4.1656912576124164e-19 4.2282402328884487e-19 4.2814645402314244e-19 4.3261492461855363e-19 4.363063395528768e-19 4.392879902441856e-19 4.416191572274497e-19 4.43354314507776e-19 4.445431295604097e-19 4.452272589774913e-19 4.454483593511616e-19 4.453426156941888e-19 4.450013520739585e-19 4.444149554307456e-19 4.43578619234688e-19 4.424138368313665e-19 4.40822875446912e-19 4.3867595877504005e-19 4.358032560939457e-19 4.3197725832347525e-19 4.2688554102257284e-19 4.200955165036224e-19 4.1098393806113285e-19 3.9861994107841923e-19 3.81550351360416e-19 3.5736549526944003e-19 3.217443024591936e-19 2.6602540611763203e-19 1.696801172024448e-19 ] } }