{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" [ 3.68997 3.442728 3.289498 3.178168 3.090676 3.018592 2.957294 2.90397 2.856782 2.814462 2.7761 2.741018 2.708699 2.678739 2.650818 2.624675 2.600097 2.576908 2.554959 2.534124 2.514296 2.495381 2.477299 2.45998 2.442471 2.424429 2.405818 2.386603 2.366742 2.346192 2.324902 2.302817 2.279875 2.256007 2.231135 2.205172 2.178016 2.149554 2.119652 2.088158 2.054892 2.019643 1.98216 1.94214 1.899215 1.852928 1.80271 1.74783 1.687332 1.619934 1.543857 1.45653 1.35404 1.22999 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.6899700000000004e-10 3.442728e-10 3.289498e-10 3.178168e-10 3.090676e-10 3.018592e-10 2.9572940000000004e-10 2.9039700000000003e-10 2.856782e-10 2.8144619999999997e-10 2.7761000000000004e-10 2.741018e-10 2.7086990000000004e-10 2.6787390000000003e-10 2.6508180000000003e-10 2.624675e-10 2.600097e-10 2.576908e-10 2.5549590000000003e-10 2.534124e-10 2.514296e-10 2.495381e-10 2.477299e-10 2.45998e-10 2.442471e-10 2.424429e-10 2.405818e-10 2.386603e-10 2.366742e-10 2.346192e-10 2.3249019999999998e-10 2.3028170000000003e-10 2.279875e-10 2.256007e-10 2.2311350000000002e-10 2.2051720000000002e-10 2.178016e-10 2.1495540000000003e-10 2.119652e-10 2.0881580000000001e-10 2.0548920000000004e-10 2.019643e-10 1.98216e-10 1.94214e-10 1.8992150000000001e-10 1.852928e-10 1.80271e-10 1.7478300000000002e-10 1.687332e-10 1.619934e-10 1.5438570000000002e-10 1.45653e-10 1.35404e-10 1.22999e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 6.41825 7.97354 8.87032 9.50849 9.99743 10.3796 10.6836 10.9338 11.1481 11.3389 11.5133 11.6753 11.8264 11.9672 12.0971 12.2156 12.3219 12.4153 12.4952 12.5611 12.6125 12.6494 12.6715 12.6789 12.6707 12.6438 12.5941 12.5165 12.4049 12.252 12.049 11.7851 11.4478 11.022 10.4904 9.83222 9.02305 8.03278 6.82288 5.34225 3.52104 1.26258 -1.56844 -5.16502 -9.80689 -15.9083 -24.1089 -35.4605 -51.7786 -76.268 -114.795 -179.506 -299.695 -559.35 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0283170181170498e-18 1.2775019478264358e-18 1.4211819440102879e-18 1.523428050262266e-18 1.6017648746050619e-18 1.6629952590266398e-18 1.71170142870024e-18 1.7517878880829197e-18 1.78612253334954e-18 1.81669206352626e-18 1.84463402402322e-18 1.87058928549402e-18 1.89479817443376e-18 1.91735682144048e-18 1.93816909591614e-18 1.95715488902904e-18 1.97418602664846e-18 1.98915035641002e-18 2.0019517477156798e-18 2.01251009173374e-18 2.0207452796325e-18 2.02665731141196e-18 2.0301981217731e-18 2.03138373248226e-18 2.03006994764238e-18 2.02576009249692e-18 2.0177972746259398e-18 2.0053643839461e-18 1.98748409271066e-18 1.9629868119768e-18 1.9304626263065996e-18 1.88818118493534e-18 1.83413976707052e-18 1.7659190859948e-18 1.6807473761313598e-18 1.5752953144347479e-18 1.4456519877413699e-18 1.286993242206252e-18 1.0931458912585919e-18 8.559228122986499e-19 5.64132801537936e-19 2.0228761745557198e-19 -2.51291791983096e-19 -8.27527435814268e-19 -1.5712370010208257e-18 -2.54879065466622e-18 -3.8626716251442595e-18 -5.6813984529957e-18 -8.295846306123239e-18 -1.22194807521912e-17 -1.8392186670003e-17 -2.87600318862804e-17 -4.8016432632662994e-17 -8.961775002279e-17 ] } }