{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.91014 8.313127 7.943122 7.674294 7.463028 7.288968 7.140952 7.01219 6.898245 6.796057 6.703424 6.618711 6.54067 6.468327 6.400905 6.337778 6.278431 6.222436 6.169436 6.119126 6.071246 6.025572 5.98191 5.94009 5.91162 5.881656 5.850034 5.816558 5.780998 5.743077 5.702459 5.65873 5.611375 5.559737 5.502964 5.43992 5.369047 5.288119 5.193806 5.080785 4.93975 4.75207 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.91014e-10 8.313127e-10 7.943122e-10 7.674294e-10 7.463028000000001e-10 7.288967999999999e-10 7.140952000000001e-10 7.012190000000001e-10 6.898245000000001e-10 6.796057000000001e-10 6.703424e-10 6.618711e-10 6.540670000000001e-10 6.468327000000001e-10 6.400905e-10 6.337778000000001e-10 6.278431e-10 6.222436e-10 6.169436000000001e-10 6.119126e-10 6.071246000000001e-10 6.025572000000001e-10 5.98191e-10 5.94009e-10 5.911620000000001e-10 5.881656000000001e-10 5.850034e-10 5.816557999999999e-10 5.780998e-10 5.743077e-10 5.702459e-10 5.658730000000001e-10 5.611375e-10 5.559737e-10 5.502964e-10 5.43992e-10 5.369047e-10 5.288119e-10 5.193806e-10 5.080785e-10 4.93975e-10 4.75207e-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" [ 0.831246 0.924619 0.981954 1.02203 1.05185 1.07485 1.09297 1.14549 1.16967 1.18222 1.1927 1.20145 1.20873 1.21475 1.21967 1.22363 1.22674 1.22909 1.23076 1.23183 1.23234 1.23263 1.24074 1.24257 1.24228 1.24168 1.2408 1.23957 1.23791 1.23574 1.23293 1.22932 1.22469 1.21877 1.21113 1.2012 1.18808 1.17039 1.14585 1.11031 1.05542 0.96179 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.331802907333517e-19 1.4814029449474752e-19 1.5732637415010433e-19 1.637472571756224e-19 1.68524947858848e-19 1.7220995408668802e-19 1.751130981235776e-19 1.835277297360192e-19 1.874017928051136e-19 1.8941252446421763e-19 1.9109160556281602e-19 1.92493510106016e-19 1.9365989468595843e-19 1.9462440501168002e-19 1.9541267590911361e-19 1.9604713785095041e-19 1.965454147800192e-19 1.969219262859072e-19 1.9718948978158083e-19 1.973609226800064e-19 1.974426336876672e-19 1.9748909680967039e-19 1.987884620491392e-19 1.990816603707456e-19 1.9903519724874241e-19 1.9893906665149439e-19 1.98798075108864e-19 1.9860100738450562e-19 1.9833504606545282e-19 1.9798737373873922e-19 1.9753716210829442e-19 1.9695877634818561e-19 1.962169685727552e-19 1.952684800132416e-19 1.940444170749504e-19 1.9245345569049602e-19 1.9035139996400641e-19 1.8751714952181123e-19 1.8358540809436802e-19 1.778912723840448e-19 1.6909692491247361e-19 1.5409574521192322e-19 ] } }