{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.39526 7.832747 7.484123 7.23083 7.031772 6.867771 6.728308 6.606987 6.499626 6.403343 6.316063 6.236246 6.162715 6.094552 6.031026 5.971547 5.915629 5.86287 5.812933 5.76553 5.720417 5.677382 5.636243 5.59684 5.557005 5.515955 5.473613 5.429895 5.38471 5.337954 5.289516 5.239268 5.187072 5.132769 5.076182 5.017111 4.955328 4.890572 4.822541 4.750886 4.675201 4.595005 4.509725 4.418673 4.321011 4.215702 4.101448 3.976587 3.838945 3.685603 3.512516 3.313834 3.080653 2.79842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.395260000000001e-10 7.832747000000001e-10 7.484123e-10 7.230830000000001e-10 7.031772000000001e-10 6.867771000000001e-10 6.728308000000001e-10 6.606987e-10 6.499626e-10 6.403343e-10 6.316063e-10 6.236246000000001e-10 6.162715e-10 6.094552e-10 6.031026e-10 5.971547e-10 5.915629000000001e-10 5.86287e-10 5.812933e-10 5.765530000000001e-10 5.720417e-10 5.677382e-10 5.636243000000001e-10 5.59684e-10 5.557005e-10 5.515955000000001e-10 5.473613000000001e-10 5.429895e-10 5.38471e-10 5.337954e-10 5.289516e-10 5.239268e-10 5.187072e-10 5.132769e-10 5.076182e-10 5.017111e-10 4.955328e-10 4.890572e-10 4.822541e-10 4.750886e-10 4.675201000000001e-10 4.5950049999999997e-10 4.5097250000000007e-10 4.418673e-10 4.321011000000001e-10 4.2157020000000004e-10 4.101448000000001e-10 3.976587e-10 3.838945e-10 3.685603e-10 3.5125160000000005e-10 3.313834e-10 3.080653e-10 2.79842e-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 0.0787512 0.690608 1.17102 1.36764 1.46816 1.5548 1.63012 1.69596 1.7537 1.80438 1.84884 1.88775 1.92166 1.95104 1.97628 1.9977 2.01561 2.03024 2.04183 2.05057 2.05662 2.06015 2.0613 2.06007 2.05609 2.04889 2.0379 2.02244 2.0017 1.97471 1.9403 1.89703 1.84317 1.77657 1.69456 1.59381 1.47017 1.35293 1.27153 1.21256 1.141 1.00297 0.730241 0.244789 -0.467192 -1.41743 -2.66957 -4.4999 -7.38576 -12.0851 -20.528 -38.2803 -82.2791 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.2617333253946078e-20 1.1064760008534719e-19 1.8761808819466797e-19 2.19120085172376e-19 2.3522516469734396e-19 2.4910642305432e-19 2.6117401746160796e-19 2.7172274841986397e-19 2.8097371630458e-19 2.89093547485692e-19 2.96216824800456e-19 3.0245089408335e-19 3.0788387504924395e-19 3.12591069999936e-19 3.16634963824152e-19 3.2006682617418e-19 3.22936324525674e-19 3.25280308941216e-19 3.2713723166002197e-19 3.2853753403813796e-19 3.29506850901708e-19 3.3007241925351e-19 3.3025666956642e-19 3.30059601840438e-19 3.2942193554010603e-19 3.28268368363626e-19 3.2650757624285996e-19 3.2403061116669598e-19 3.2070769682778e-19 3.16383422092614e-19 3.1087033229502e-19 3.03937713999702e-19 2.9530839064897797e-19 2.8463789426653796e-19 2.71498443691104e-19 2.55356514103554e-19 2.3554720220077796e-19 2.1676328334376197e-19 2.03721565543002e-19 1.94273529932304e-19 1.828083539394e-19 1.6069350986029797e-19 1.169975067388794e-19 3.92195216060226e-20 -7.48524105991728e-20 -2.27097322633062e-19 -4.27712267682738e-19 -7.2096346353366e-19 -1.183329209633184e-18 -1.93624648395534e-18 -3.2889481942751994e-18 -6.133180220251019e-18 -1.318256514865494e-17 ] } }