{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" [ 8.45164 7.88535 7.534385 7.279391 7.078997 6.913894 6.773495 6.651359 6.543278 6.446348 6.358482 6.278129 6.204104 6.135484 6.071531 6.011653 5.95536 5.902247 5.851974 5.804253 5.758836 5.715513 5.674098 5.63443 5.607425 5.579003 5.549008 5.517254 5.483524 5.447554 5.409026 5.367547 5.322629 5.273648 5.219796 5.159996 5.09277 5.016007 4.926547 4.819341 4.685563 4.50754 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.451639999999999e-10 7.88535e-10 7.534385000000001e-10 7.279391000000001e-10 7.078997e-10 6.913894e-10 6.773495e-10 6.651359000000001e-10 6.543278e-10 6.446348000000001e-10 6.358482000000001e-10 6.278129e-10 6.204104000000001e-10 6.135484e-10 6.071531000000001e-10 6.011653000000001e-10 5.95536e-10 5.902247e-10 5.851974e-10 5.804253e-10 5.758836e-10 5.715513e-10 5.674098e-10 5.63443e-10 5.607425e-10 5.579003e-10 5.549008e-10 5.517254000000001e-10 5.483524e-10 5.447554000000001e-10 5.409026e-10 5.367547e-10 5.322629e-10 5.273648e-10 5.219796e-10 5.159996e-10 5.09277e-10 5.016007e-10 4.926547e-10 4.819341e-10 4.685563e-10 4.50754e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0189025 0.0282529 0.0365154 0.0440886 0.0511244 0.0577074 0.0639022 0.0697416 0.0752272 0.0803761 0.085197 0.0896836 0.093836 0.0976604 0.101149 0.104295 0.107092 0.109538 0.111629 0.113353 0.114703 0.11567 0.116255 0.116457 0.116355 0.116013 0.115363 0.114312 0.112741 0.110483 0.107309 0.102895 0.0967731 0.0882563 0.0762827 0.0591399 0.0339829 -0.00425049 -0.0652701 -0.169805 -0.369141 -0.82303 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0285143574672e-21 4.526613584980032e-21 5.850412017916033e-21 7.063772416380288e-21 8.191031843242753e-21 9.245744712715393e-21 1.0238261085768578e-20 1.1173836101718529e-20 1.2052726108824575e-20 1.287767082910829e-20 1.365006415622976e-20 1.436889671891789e-20 1.5034184538938882e-20 1.5646920965797633e-20 1.620585630172992e-20 1.67099010666336e-20 1.7158029867471362e-20 1.754992226891904e-20 1.7884937400328323e-20 1.816115264975424e-20 1.837744649356224e-20 1.85323769727936e-20 1.86261043051104e-20 1.865846827285056e-20 1.86421260713184e-20 1.8587331630887043e-20 1.848319015053504e-20 1.831480138768896e-20 1.806309944056128e-20 1.7701327959584642e-20 1.7192797100142722e-20 1.64855963397216e-20 1.5504759834234048e-20 1.4140218049831105e-20 1.2221835851150017e-20 9.475256513644993e-21 5.444660788698433e-21 -6.810035704944192e-22 -1.0457422825727808e-20 -2.72057601094944e-20 -5.914290799787328e-20 -1.3186394242170242e-19 ] } }