{ "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" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" ] } "a" { "source-value" [ 13.7427 12.821892 12.251213 11.836583 11.510735 11.242273 11.013978 10.815382 10.639638 10.482027 10.339154 10.208496 10.08813 9.97655 9.872562 9.775197 9.683662 9.597299 9.515554 9.437957 9.364109 9.293664 9.226321 9.16182 9.117909 9.071694 9.022921 8.971289 8.916442 8.857954 8.795306 8.72786 8.654821 8.575177 8.487612 8.390375 8.281063 8.156243 8.010779 7.836459 7.618931 7.32946 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.37427e-09 1.2821892e-09 1.2251213e-09 1.1836583e-09 1.1510735000000001e-09 1.1242273000000001e-09 1.1013978e-09 1.0815382e-09 1.0639638e-09 1.0482027e-09 1.0339154e-09 1.0208496000000001e-09 1.008813e-09 9.97655e-10 9.872562e-10 9.775197e-10 9.683662e-10 9.597299e-10 9.515554e-10 9.437957e-10 9.364109e-10 9.293664e-10 9.226321000000001e-10 9.161820000000001e-10 9.117909e-10 9.071694000000001e-10 9.022921e-10 8.971289e-10 8.916442e-10 8.857954e-10 8.795306e-10 8.72786e-10 8.654821e-10 8.575177e-10 8.487612e-10 8.390375000000001e-10 8.281063e-10 8.156243e-10 8.010778999999999e-10 7.836459e-10 7.618931e-10 7.32946e-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" [ 1.1573 1.73473 2.24221 2.70733 3.14208 3.54934 3.93354 4.29468 4.63391 4.95191 5.24938 5.52692 5.78375 6.01978 6.23572 6.43119 6.6051 6.75708 6.88674 6.99366 7.07739 7.13747 7.17446 7.18695 7.18066 7.15949 7.1192 7.05417 6.95723 6.81797 6.62206 6.34948 5.97126 5.44436 4.70273 3.64155 2.08409 -0.281871 -4.05801 -10.5289 -22.8616 -50.9475 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.85419900325184e-19 2.779343849400384e-19 3.5924164409239684e-19 4.337620830790464e-19 5.034167116683264e-19 5.686669567270272e-19 6.302225824981632e-19 6.880835889817344e-19 7.424342264891329e-19 7.933834430305728e-19 8.410433909695105e-19 8.855102009031936e-19 9.266589030552001e-19 9.644750778359424e-19 9.990724797854975e-19 1.0303902261922752e-18 1.0582536798046081e-18 1.0826035600875264e-18 1.1033773821528192e-18 1.120507854582413e-18 1.1339228794283712e-18 1.1435487565661377e-18 1.149475207886477e-18 1.151476326485856e-18 1.1504685573913728e-18 1.1470767494851393e-18 1.140621579879936e-18 1.1302026253148736e-18 1.1146711251528385e-18 1.0923592135315777e-18 1.0609709713534849e-18 1.0172988410237184e-18 9.567013168718208e-19 8.722826307218687e-19 7.534604059934785e-19 5.834406273474241e-19 3.3390802736430724e-19 -4.516071262815168e-20 -6.501648748972609e-19 -1.686915742274112e-18 -3.6628321034081284e-18 -8.1626893388208e-18 ] } }