{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 10.207 9.523092 9.099233 8.791277 8.549261 8.349867 8.180307 8.032804 7.902275 7.785212 7.679097 7.582054 7.492655 7.409782 7.332547 7.260231 7.192246 7.128102 7.067387 7.009754 6.954906 6.902584 6.852567 6.80466 6.772046 6.737722 6.701497 6.663149 6.622413 6.578973 6.532443 6.482349 6.428102 6.368948 6.303912 6.231693 6.150504 6.057798 5.949759 5.820288 5.658726 5.44373 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0207000000000002e-09 9.523092e-10 9.099233e-10 8.791276999999999e-10 8.549261e-10 8.349867e-10 8.180307000000001e-10 8.032804000000001e-10 7.902275000000001e-10 7.785212e-10 7.679097e-10 7.582054000000001e-10 7.492655000000001e-10 7.409782e-10 7.332547e-10 7.260231e-10 7.192246e-10 7.128102e-10 7.067387000000001e-10 7.009754000000001e-10 6.954906e-10 6.902584000000001e-10 6.852567e-10 6.80466e-10 6.772046e-10 6.737722e-10 6.701497e-10 6.663149e-10 6.622413e-10 6.578973e-10 6.532443e-10 6.482349000000001e-10 6.428102e-10 6.368947999999999e-10 6.303912000000001e-10 6.231693e-10 6.150504e-10 6.057798e-10 5.949759000000001e-10 5.820288e-10 5.658726e-10 5.443730000000001e-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" [ 1.37713 2.06424 2.66812 3.2216 3.73894 4.22357 4.68075 5.1105 5.51418 5.89259 6.24658 6.57684 6.88247 7.16334 7.4203 7.65292 7.85987 8.04072 8.19502 8.32225 8.42189 8.49338 8.5374 8.55226 8.54478 8.51959 8.47165 8.39426 8.27891 8.1132 7.88008 7.55572 7.10565 6.47865 5.59614 4.33339 2.48004 -0.335364 -4.82884 -12.529 -27.2045 -60.6259 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.206405489802304e-19 3.307277067720192e-19 4.2747994854888965e-19 5.161572201569281e-19 5.990442254573952e-19 6.766905110312255e-19 7.4993882178096e-19 8.1879236205984e-19 8.834690278882944e-19 9.440969933959873e-19 1.0008124435956864e-18 1.0537259286742273e-18 1.1026932527357376e-18 1.1476935874841472e-18 1.188863117932224e-18 1.2261329504852737e-18 1.2592899956527297e-18 1.2882653598398977e-18 1.3129869450988415e-18 1.3333714382452801e-18 1.3493355260949312e-18 1.3607894867570305e-18 1.367842268241792e-18 1.370223102700301e-18 1.3690246745879424e-18 1.3649887916801475e-18 1.3573079569600322e-18 1.3449087120916607e-18 1.3264276047707328e-18 1.2998779359874563e-18 1.2625279946033666e-18 1.2105597937310976e-18 1.138450630558752e-18 1.0379941564345921e-18 8.966004674723712e-19 6.942856146808512e-19 3.973462106648832e-19 -5.373123602579712e-20 -7.736654553583871e-19 -2.00736708820032e-18 -4.35864138805536e-18 -9.713339959495873e-18 ] } }