{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14409 7.598405 7.260212 7.014496 6.821393 6.662298 6.527008 6.409316 6.305168 6.211765 6.127096 6.049667 5.978335 5.912212 5.850587 5.792887 5.738642 5.687462 5.639018 5.593033 5.54927 5.507523 5.467615 5.42939 5.390747 5.350925 5.30985 5.26744 5.223606 5.17825 5.13126 5.082516 5.031881 4.979203 4.924309 4.867005 4.80707 4.744251 4.678255 4.608745 4.535324 4.457527 4.374798 4.28647 4.19173 4.089572 3.978736 3.85761 3.724085 3.575332 3.407422 3.214684 2.988479 2.71469 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.144090000000001e-10 7.598405e-10 7.260212e-10 7.014496000000001e-10 6.821393e-10 6.662298e-10 6.527008000000001e-10 6.409316e-10 6.305168e-10 6.211765e-10 6.127096e-10 6.049667e-10 5.978335000000001e-10 5.912212e-10 5.850587e-10 5.792887000000001e-10 5.738642e-10 5.687462000000001e-10 5.639018e-10 5.593033e-10 5.54927e-10 5.507523e-10 5.467615e-10 5.42939e-10 5.390747e-10 5.350925e-10 5.30985e-10 5.26744e-10 5.223606e-10 5.17825e-10 5.13126e-10 5.082516000000001e-10 5.031881e-10 4.979203000000001e-10 4.924309e-10 4.867005e-10 4.807070000000001e-10 4.744251000000001e-10 4.678255e-10 4.608745e-10 4.535324e-10 4.457527e-10 4.374798e-10 4.28647e-10 4.19173e-10 4.0895720000000004e-10 3.978736e-10 3.8576100000000003e-10 3.7240850000000005e-10 3.575332e-10 3.407422e-10 3.2146840000000004e-10 2.988479e-10 2.7146900000000004e-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" [ 0.0249017 1.89481 2.38006 2.71214 2.98951 3.22591 3.42997 3.60756 3.76289 3.89914 4.01876 4.12368 4.21549 4.29549 4.36477 4.42425 4.47473 4.51689 4.55134 4.5786 4.59914 4.61336 4.62166 4.62435 4.62146 4.61214 4.59528 4.56956 4.53341 4.48497 4.42201 4.34181 4.24112 3.80537 2.49687 0.80771 -0.84242 -2.31245 -3.59089 -4.66277 -5.62229 -6.76715 -8.15688 -9.86318 -12.9183 -17.9122 -23.5024 -29.0471 -36.1734 -46.1094 -62.2881 -87.5413 -133.188 -220.549 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.98969218868778e-21 3.03582030786954e-19 3.8132765195180394e-19 4.34532733613676e-19 4.78972306910934e-19 5.168477625386939e-19 5.49541778932098e-19 5.779948337753039e-19 6.02881443431226e-19 6.24711100069476e-19 6.43876336965384e-19 6.6068637420931195e-19 6.75395957886066e-19 6.88213370958066e-19 6.99313250678418e-19 7.088429972974499e-19 7.16930784945882e-19 7.236855616348259e-19 7.292050601389559e-19 7.3357259364324e-19 7.36863464449476e-19 7.39141759623024e-19 7.40471566229244e-19 7.409025517437899e-19 7.404395226965639e-19 7.389462940736759e-19 7.362450242687519e-19 7.32124225966104e-19 7.26332357434194e-19 7.185714138190979e-19 7.08484109731434e-19 6.956346531267539e-19 6.795023365990079e-19 6.096874897724579e-19 4.0004267721355795e-19 1.29409408904814e-19 -1.3497056400142798e-19 -3.7049533572933e-19 -5.75324005326426e-19 -7.47058114371618e-19 -9.00790166757186e-19 -1.0842169608773098e-18 -1.3068762542341918e-18 -1.580255653293612e-18 -2.06973984110022e-18 -2.8698508303534795e-18 -3.76549961229216e-18 -4.65385849054614e-18 -5.79561762523356e-18 -7.387540328775959e-18 -9.97965383962554e-18 -1.402566253699842e-17 -2.1339070152919198e-17 -3.53358454452066e-17 ] } }