{ "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" [ "Cm" "Cm" "Cm" "Cm" "Cm" "Cm" "Cm" "Cm" ] } "a" { "source-value" [ 11.2744 10.518974 10.050791 9.710632 9.443308 9.223062 9.035771 8.872843 8.728664 8.599361 8.482148 8.374958 8.27621 8.18467 8.099359 8.019481 7.944387 7.873535 7.806471 7.742812 7.682227 7.624434 7.569187 7.51627 7.462774 7.407645 7.350782 7.292072 7.23139 7.168599 7.103549 7.036069 6.965972 6.893046 6.817052 6.737723 6.654751 6.567786 6.476424 6.380196 6.278555 6.170855 6.056328 5.93405 5.802894 5.66147 5.508033 5.34035 5.155503 4.949574 4.717126 4.450306 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.12744e-09 1.0518974e-09 1.0050791000000001e-09 9.710632000000001e-10 9.443308e-10 9.223062000000001e-10 9.035771000000001e-10 8.872843e-10 8.728664000000001e-10 8.599361e-10 8.482148000000001e-10 8.374958e-10 8.276210000000001e-10 8.18467e-10 8.099359e-10 8.019481000000001e-10 7.944387e-10 7.873535000000001e-10 7.806471e-10 7.742812e-10 7.682227e-10 7.624434000000001e-10 7.569187000000001e-10 7.51627e-10 7.462774e-10 7.407645e-10 7.350782e-10 7.292072e-10 7.23139e-10 7.168599e-10 7.103549e-10 7.036069000000001e-10 6.965972e-10 6.893046e-10 6.817052e-10 6.737723e-10 6.654751000000001e-10 6.567786e-10 6.476424e-10 6.380196e-10 6.278555000000001e-10 6.170855000000001e-10 6.056328e-10 5.93405e-10 5.802894000000001e-10 5.661469999999999e-10 5.508033e-10 5.34035e-10 5.155503e-10 4.949574e-10 4.717126e-10 4.4503060000000005e-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" [ 0.945414 1.41712 1.83169 2.21166 2.56681 2.89952 3.21337 3.5084 3.78552 4.0453 4.28832 4.51504 4.72486 4.91768 5.09408 5.25378 5.39585 5.52001 5.62593 5.71328 5.78169 5.83076 5.86098 5.87119 5.85968 5.82116 5.74853 5.63329 5.46348 5.2243 4.89666 4.45565 3.86851 3.09217 2.06799 0.716867 -1.0688 -3.44238 -6.61947 -10.909 -16.7699 -24.8919 -36.3478 -52.8439 -77.197 -114.249 -172.727 -269.304 -438.105 -755.347 -1411.2 -2955.05 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5147202202564758e-19 2.2704765515740797e-19 2.9346909187314596e-19 3.54346997435244e-19 4.1124830059175394e-19 4.64554319381568e-19 5.14838633039658e-19 5.621076502725599e-19 6.065071691539679e-19 6.481285137520199e-19 6.870646103114879e-19 7.23389158957536e-19 7.5700602909212385e-19 7.878991989489119e-19 8.161615947726719e-19 8.417483556176519e-19 8.6451047905689e-19 8.84403104144634e-19 9.013733590519619e-19 9.15368371949952e-19 9.26328862303146e-19 9.341907430461839e-19 9.390325208341319e-19 9.40668343177446e-19 9.38824237871712e-19 9.326526534775438e-19 9.21016044584802e-19 9.02552561054586e-19 8.753459996326319e-19 8.3702513890062e-19 7.845314236642439e-19 7.1387383192821e-19 6.19803633039534e-19 4.95420252235578e-19 3.31328525734566e-19 1.148547557085678e-19 -1.7124063864191999e-19 -5.51530080134892e-19 -1.0605560163463979e-18 -1.7478144900306e-18 -2.6868341934516597e-18 -3.988122055586459e-18 -5.82355958573052e-18 -8.46652618294326e-18 -1.23683229614898e-17 -1.83047078257866e-17 -2.76739163460918e-17 -4.3147257624273594e-17 -7.0192159423857e-17 -1.210199313961998e-16 -2.2609916659008e-16 -4.7345120623017e-16 ] } }