{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Si" ] } "a" { "source-value" [ 3.96609 3.700347 3.535651 3.41599 3.321951 3.244473 3.178588 3.121274 3.070555 3.025068 2.983835 2.946128 2.911391 2.879189 2.849178 2.821079 2.794662 2.769738 2.746147 2.723752 2.70244 2.68211 2.662675 2.64406 2.625241 2.605848 2.585845 2.565192 2.543846 2.521757 2.498874 2.475136 2.450477 2.424824 2.398091 2.370185 2.340997 2.310405 2.278265 2.244414 2.208659 2.170773 2.130485 2.08747 2.041333 1.991583 1.937607 1.87862 1.813595 1.741153 1.659383 1.565522 1.455362 1.32203 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.96609e-10 3.700347e-10 3.5356510000000004e-10 3.41599e-10 3.321951e-10 3.244473e-10 3.178588e-10 3.1212740000000004e-10 3.0705550000000004e-10 3.0250680000000004e-10 2.9838350000000004e-10 2.946128e-10 2.911391e-10 2.8791890000000004e-10 2.849178e-10 2.821079e-10 2.7946620000000005e-10 2.769738e-10 2.7461470000000005e-10 2.723752e-10 2.70244e-10 2.68211e-10 2.6626750000000003e-10 2.6440600000000004e-10 2.625241e-10 2.605848e-10 2.585845e-10 2.565192e-10 2.5438459999999997e-10 2.5217570000000003e-10 2.498874e-10 2.475136e-10 2.450477e-10 2.424824e-10 2.398091e-10 2.370185e-10 2.340997e-10 2.310405e-10 2.2782650000000002e-10 2.244414e-10 2.208659e-10 2.170773e-10 2.1304850000000002e-10 2.0874700000000003e-10 2.041333e-10 1.9915830000000001e-10 1.9376070000000003e-10 1.87862e-10 1.813595e-10 1.741153e-10 1.659383e-10 1.5655220000000002e-10 1.455362e-10 1.3220300000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.354047 -0.301456 -0.0313323 0.243767 0.501428 0.745826 0.955439 1.12166 1.24978 1.35126 1.43731 1.51549 1.58901 1.65775 1.72019 1.7749 1.82114 1.85881 1.89102 1.92021 1.94571 1.96623 1.98002 1.98508 1.97864 1.95546 1.90854 1.82939 1.70862 1.53707 1.30778 1.01841 0.673965 0.289122 -0.110657 -0.501538 -0.853028 -1.12198 -1.27089 -1.28717 -1.20497 -1.10616 -1.06191 -1.13067 -0.961105 0.896953 8.10408 25.939 69.3305 208.922 885.349 4109.75 17265.2 103854 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -5.67245830737798e-20 -4.8298575937910397e-20 -5.0199878949478196e-21 3.90557791540278e-20 8.033762252333519e-20 1.1949449902296838e-19 1.5307820410123259e-19 1.7970974432924401e-19 2.0023683136405198e-19 2.1649571984588397e-19 2.30282449781454e-19 2.42808266706066e-19 2.54587469319234e-19 2.6560083150135e-19 2.7560482240404598e-19 2.8437033076865997e-19 2.91778795524276e-19 2.97814194904554e-19 3.0297480584266797e-19 3.07651559437314e-19 3.11737109854014e-19 3.1502477630698196e-19 3.1723417788526796e-19 3.1804487926207195e-19 3.1701307750977595e-19 3.13299232072164e-19 3.0578181930543597e-19 2.9310059124732597e-19 2.73751104038508e-19 2.4626576388223795e-19 2.0952945584125197e-19 1.63167270583194e-19 1.07981097513381e-19 4.6322451277534795e-20 -1.77292059788538e-20 -8.03552464663092e-20 -1.3667015297477518e-19 -1.7976101398153198e-19 -2.03619026238426e-19 -2.0622736979857798e-19 -1.93057477867098e-19 -1.7722637054654398e-19 -1.7013673894109399e-19 -1.81153305476478e-19 -1.53985997382057e-19 1.437077138396202e-19 1.298416761606672e-18 4.1558859709326e-18 1.11079707123537e-17 3.34729946728548e-17 1.418485480735266e-16 6.584545421581499e-16 2.76619000213368e-15 1.6639245214743598e-14 ] } }