{ "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" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" [ 10.5113 9.807001 9.370505 9.053368 8.804136 8.598797 8.424181 8.272281 8.13786 8.017307 7.908028 7.808092 7.716027 7.630683 7.551145 7.476674 7.406662 7.340605 7.27808 7.218729 7.162245 7.108363 7.056855 7.00752 6.973934 6.938586 6.901281 6.86179 6.81984 6.775105 6.727188 6.675601 6.619737 6.55882 6.491845 6.417472 6.333864 6.238394 6.127134 5.993803 5.827425 5.60602 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.05113e-09 9.807001e-10 9.370505e-10 9.053368000000001e-10 8.804136e-10 8.598796999999999e-10 8.424181000000001e-10 8.272281e-10 8.13786e-10 8.017307000000001e-10 7.908028e-10 7.808092000000001e-10 7.716027e-10 7.630683000000001e-10 7.551145e-10 7.476674000000001e-10 7.406662e-10 7.340605e-10 7.278080000000001e-10 7.218729e-10 7.162245e-10 7.108363e-10 7.056855e-10 7.007520000000001e-10 6.973934000000001e-10 6.938586e-10 6.901281e-10 6.86179e-10 6.81984e-10 6.775105e-10 6.727188000000001e-10 6.675601e-10 6.619737e-10 6.55882e-10 6.491845e-10 6.417472e-10 6.333864e-10 6.238394000000001e-10 6.127134e-10 5.993803e-10 5.827425e-10 5.60602e-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" [ 0.819347 1.03695 1.2119 1.36042 1.48944 1.60292 1.70344 1.79285 1.87252 1.94354 2.00678 2.06296 2.11267 2.15644 2.19469 2.22782 2.25615 2.27999 2.29959 2.3152 2.32703 2.33527 2.3401 2.34167 2.34091 2.33839 2.33372 2.32639 2.31573 2.3009 2.28077 2.25384 2.21708 2.16283 2.09751 2.01004 1.89036 1.72278 1.48025 1.11212 0.511938 -0.587079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.312738618537998e-19 1.6613770606262998e-19 1.9416778627445998e-19 2.1796331364262796e-19 2.38634596574496e-19 2.5681609701712796e-19 2.7292117654209597e-19 2.8724623782669e-19 3.00010779069768e-19 3.11389437524436e-19 3.21521602557852e-19 3.3052263088766397e-19 3.3848705093527797e-19 3.4549977806229597e-19 3.51628103687346e-19 3.5693611487578797e-19 3.6147508127990997e-19 3.65294670375366e-19 3.6843493657800595e-19 3.7093593430368e-19 3.72831309261702e-19 3.74151502808118e-19 3.7492535412234e-19 3.75176895853878e-19 3.7505513042969396e-19 3.74651381917926e-19 3.7390316542984796e-19 3.7272876995712595e-19 3.7102084966528195e-19 3.6864482171705995e-19 3.65419640152818e-19 3.6110497847745594e-19 3.55215377170872e-19 3.46523568931422e-19 3.36058151158134e-19 3.22043912140536e-19 3.02869062184824e-19 2.7601978615225196e-19 2.3716219624785e-19 1.7818126782040798e-19 8.202151016566919e-20 -9.40604256112086e-20 ] } }