{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 7.81146 7.288063 6.963683 6.728003 6.542788 6.390191 6.260426 6.147542 6.047647 5.958059 5.876849 5.802582 5.734164 5.670741 5.611633 5.55629 5.504261 5.455171 5.408706 5.364599 5.322623 5.282581 5.244303 5.20764 5.170575 5.13238 5.092982 5.052305 5.010261 4.966757 4.921687 4.874934 4.826367 4.77584 4.723188 4.668225 4.610739 4.550485 4.487185 4.420513 4.350092 4.275472 4.196122 4.111402 4.020531 3.922546 3.816237 3.700058 3.571987 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.811460000000001e-10 7.288063e-10 6.963683e-10 6.728003000000001e-10 6.542788e-10 6.390191e-10 6.260426e-10 6.147542e-10 6.047647e-10 5.958059000000001e-10 5.876849e-10 5.802582000000001e-10 5.734164e-10 5.670741e-10 5.611633000000001e-10 5.55629e-10 5.504261e-10 5.455171e-10 5.408706e-10 5.364599e-10 5.322623e-10 5.282581000000001e-10 5.244303e-10 5.20764e-10 5.170575000000001e-10 5.132380000000001e-10 5.092982e-10 5.052305e-10 5.010261e-10 4.966757000000001e-10 4.921687000000001e-10 4.874934e-10 4.826367000000001e-10 4.77584e-10 4.723188e-10 4.668225e-10 4.610739e-10 4.5504850000000003e-10 4.487185e-10 4.420513e-10 4.3500920000000003e-10 4.2754719999999997e-10 4.196122e-10 4.111402e-10 4.0205310000000003e-10 3.9225460000000003e-10 3.816237e-10 3.700058e-10 3.571987e-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" [ 0.627517 0.921915 1.19116 1.42283 1.61534 1.78169 1.9304 2.06637 2.19156 2.3058 2.4084 2.49926 2.57901 2.64855 2.7088 2.76076 2.80477 2.84153 2.87155 2.89526 2.91306 2.92535 2.93247 2.93478 2.93233 2.9247 2.91066 2.88934 2.85953 2.81979 2.76838 2.70333 2.62235 2.52281 2.40107 2.25249 2.07124 1.8502 1.57906 1.24455 0.829721 0.313254 -0.333636 -1.15017 -2.19477 -3.55645 -5.36937 -7.84045 -11.3013 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0053930748377779e-19 1.47707067153411e-19 1.9084487193554398e-19 2.27962498015422e-19 2.58806000396556e-19 2.8545820870314597e-19 3.0928417742736e-19 3.31068973119858e-19 3.5112662240090396e-19 3.6942988826771997e-19 3.8586822053255993e-19 4.0042559742908397e-19 4.1320295608523394e-19 4.2434449239807e-19 4.3399760661792e-19 4.42322516408184e-19 4.49373695774418e-19 4.55263297081002e-19 4.6007303133627e-19 4.63871792135484e-19 4.66723666544004e-19 4.686927416271899e-19 4.698334913905979e-19 4.702035941930519e-19 4.698110609177219e-19 4.6858860014598e-19 4.66339144151844e-19 4.6292330356815595e-19 4.58147215022202e-19 4.51780165078686e-19 4.43543375003292e-19 4.331212159991219e-19 4.2014678961699e-19 4.04198723402154e-19 3.846938250598379e-19 3.6088868463186596e-19 3.31849233140616e-19 2.9643472082268e-19 2.52993303568404e-19 1.9939889298447e-19 1.329359598939114e-19 5.018882393070359e-20 -5.34543803461224e-20 -1.8427754991277798e-19 -3.51640921100418e-19 -5.698061089989299e-19 -8.60267915330058e-19 -1.2561785790045298e-18 -1.8106678793824197e-18 ] } }