{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pt" "Pt" ] } "a" { "source-value" [ 4.2052 3.923437 3.748811 3.621936 3.522228 3.44008 3.370223 3.309453 3.255676 3.207448 3.163729 3.123749 3.086917 3.052774 3.020954 2.991161 2.963152 2.936725 2.911711 2.887967 2.86537 2.843814 2.823207 2.80347 2.783516 2.762954 2.741745 2.719847 2.697213 2.673793 2.64953 2.624361 2.598216 2.571015 2.54267 2.513082 2.482134 2.449697 2.41562 2.379728 2.341818 2.301647 2.25893 2.213321 2.164402 2.111653 2.054422 1.991879 1.922933 1.846124 1.759424 1.659903 1.543101 1.40173 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2051999999999996e-10 3.923437e-10 3.748811e-10 3.621936e-10 3.522228e-10 3.44008e-10 3.3702230000000005e-10 3.3094530000000003e-10 3.255676e-10 3.207448e-10 3.163729e-10 3.1237490000000004e-10 3.086917e-10 3.052774e-10 3.020954e-10 2.991161e-10 2.963152e-10 2.936725e-10 2.9117110000000003e-10 2.887967e-10 2.86537e-10 2.8438140000000004e-10 2.8232070000000003e-10 2.80347e-10 2.783516e-10 2.762954e-10 2.741745e-10 2.719847e-10 2.6972130000000003e-10 2.673793e-10 2.6495300000000003e-10 2.624361e-10 2.598216e-10 2.5710150000000003e-10 2.54267e-10 2.513082e-10 2.482134e-10 2.449697e-10 2.41562e-10 2.379728e-10 2.341818e-10 2.301647e-10 2.25893e-10 2.2133210000000002e-10 2.164402e-10 2.111653e-10 2.0544220000000002e-10 1.9918790000000001e-10 1.922933e-10 1.846124e-10 1.759424e-10 1.659903e-10 1.5431010000000001e-10 1.40173e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.00507 1.4497 1.80773 2.11356 2.38211 2.62151 2.83677 3.03128 3.20744 3.36704 3.51149 3.64186 3.75907 3.86385 3.95682 4.03852 4.10941 4.16989 4.22032 4.26101 4.29224 4.31427 4.32734 4.33165 4.32692 4.31143 4.28291 4.23858 4.17506 4.0882 3.97284 3.8226 3.62949 3.38344 3.07168 2.67792 2.18104 1.5536 0.759411 -0.249784 -1.53916 -3.19823 -5.35171 -8.17697 -11.9313 -16.9979 -23.9633 -33.7549 -47.8998 -69.031 -101.962 -156.155 -252.054 -439.853 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6102996695343798e-19 2.3226754663098e-19 2.89630276658082e-19 3.38629644655704e-19 3.8165609816177396e-19 4.2001220677973395e-19 4.54500661003218e-19 4.85664598711152e-19 5.13888542295696e-19 5.394592813743359e-19 5.626027228524659e-19 5.83490299629924e-19 6.022694119570379e-19 6.1905701872809e-19 6.339524548943879e-19 6.470422379941679e-19 6.584000681525939e-19 6.680900324350259e-19 6.76169809200288e-19 6.826890659240339e-19 6.876926635520159e-19 6.912222586767179e-19 6.93316303537356e-19 6.940068416666099e-19 6.93249012118728e-19 6.907672405126619e-19 6.86197832752494e-19 6.790953837339719e-19 6.6891835775480395e-19 6.550018515118799e-19 6.36519141862056e-19 6.1244804011284e-19 5.81508407133666e-19 5.42086851054096e-19 4.92137392312512e-19 4.2905008517212796e-19 3.4944113258193595e-19 2.4891416185824e-19 1.216710559802574e-19 -4.00198088347056e-20 -2.46600618798744e-19 -5.12412937615782e-19 -8.574384713944139e-19 -1.310095027091898e-18 -1.91160500732442e-18 -2.72336382070686e-18 -3.83934393335322e-18 -5.40813120630066e-18 -7.674394033327319e-18 -1.10599855221654e-17 -1.6336113395590798e-17 -2.5018789228227e-17 -4.0383502930623595e-17 -7.04722198994802e-17 ] } }