{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.29751 4.942557 4.722571 4.562739 4.437131 4.333644 4.245641 4.169086 4.10134 4.040584 3.985509 3.935143 3.888744 3.845733 3.805647 3.768115 3.73283 3.699539 3.668027 3.638116 3.609649 3.582493 3.556534 3.53167 3.506534 3.480631 3.453913 3.426326 3.397814 3.368311 3.337746 3.306039 3.273102 3.238837 3.20313 3.165856 3.12687 3.086008 3.04308 2.997865 2.950107 2.899503 2.84569 2.788235 2.726609 2.660159 2.588064 2.509275 2.422421 2.325661 2.216441 2.091071 1.943931 1.76584 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.29751e-10 4.942557e-10 4.722571000000001e-10 4.5627389999999997e-10 4.437131e-10 4.333644e-10 4.245641e-10 4.1690860000000003e-10 4.1013400000000004e-10 4.040584e-10 3.985509e-10 3.935143e-10 3.8887440000000003e-10 3.845733e-10 3.8056470000000003e-10 3.768115e-10 3.73283e-10 3.699539e-10 3.668027e-10 3.638116e-10 3.609649e-10 3.582493e-10 3.556534e-10 3.53167e-10 3.5065339999999997e-10 3.480631e-10 3.4539130000000004e-10 3.426326e-10 3.397814e-10 3.368311e-10 3.3377460000000005e-10 3.3060390000000003e-10 3.2731020000000004e-10 3.238837e-10 3.20313e-10 3.165856e-10 3.12687e-10 3.086008e-10 3.04308e-10 2.9978650000000003e-10 2.950107e-10 2.899503e-10 2.8456899999999997e-10 2.788235e-10 2.726609e-10 2.660159e-10 2.588064e-10 2.509275e-10 2.422421e-10 2.3256610000000003e-10 2.216441e-10 2.091071e-10 1.9439310000000002e-10 1.76584e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.16118 0.240573 0.334524 0.392808 0.435899 0.47862 0.521789 0.561216 0.594543 0.622663 0.646151 0.665995 0.683339 0.698955 0.713185 0.847577 0.944699 1.00809 1.04895 1.07459 1.08981 1.09796 1.10162 1.10258 1.10172 1.09927 1.0949 1.08807 1.07828 1.06453 1.04523 1.01833 0.981614 0.933521 0.872243 0.795304 0.700635 0.5837 0.437934 0.260398 0.0445244 -0.223897 -0.579643 -2.23333 -2.84888 -3.63538 -4.60468 -5.78658 -7.32001 -9.46735 -12.5829 -17.1511 -23.9281 -28.6634 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5823882986811996e-20 3.85440439371282e-20 5.3596653631221596e-20 6.29347799248272e-20 6.983871925839659e-20 7.6683378056508e-20 8.359981436782258e-20 8.99167161826944e-20 9.52562902508262e-20 9.976161094563419e-20 1.035248034235734e-19 1.06704162736083e-19 1.094829778900926e-19 1.11984936921747e-19 1.14264834271929e-19 1.3579680649158179e-19 1.513574663963166e-19 1.6151382429690597e-19 1.6806031802343e-19 1.7216829891300598e-19 1.74606811749954e-19 1.75912585706664e-19 1.7649898235470799e-19 1.7665279131157197e-19 1.76515004121048e-19 1.7612247084571798e-19 1.7542231965666e-19 1.74328033015638e-19 1.7275950209095197e-19 1.70556509219202e-19 1.67464308315582e-19 1.6315445317012198e-19 1.5727190144072759e-19 1.495665533548314e-19 1.3974873537700618e-19 1.274217485726736e-19 1.1225410259625898e-19 9.351905012657999e-20 7.01647622034156e-20 4.17203591140332e-20 7.13359533228696e-21 -3.58722541822698e-20 -9.28690470661662e-20 -3.57818914201122e-19 -4.56440896906992e-19 -5.824520891710919e-19 -7.377510703047119e-19 -9.27112326677172e-19 -1.1727948982646338e-18 -1.5168366955899899e-18 -2.01600283679586e-18 -2.7479091667397396e-18 -3.83370427160154e-18 -4.59238297309956e-18 ] } }