{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 9.05363 8.447003 8.071039 7.797882 7.583213 7.40635 7.25595 7.125115 7.009335 6.905501 6.811377 6.7253 6.646002 6.572494 6.503986 6.439842 6.379539 6.322643 6.268789 6.217669 6.169018 6.122609 6.078243 6.03575 6.006821 5.976375 5.944244 5.910229 5.874096 5.835564 5.794292 5.749859 5.701742 5.649272 5.591585 5.527526 5.455511 5.373281 5.277449 5.162608 5.019302 4.8286 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.05363e-10 8.447003000000001e-10 8.071039000000001e-10 7.797882000000001e-10 7.583213e-10 7.40635e-10 7.25595e-10 7.125115e-10 7.009335000000001e-10 6.905501e-10 6.811377000000001e-10 6.725300000000001e-10 6.646002e-10 6.572494e-10 6.503986e-10 6.439842e-10 6.379539000000001e-10 6.322643000000001e-10 6.268789e-10 6.217669000000001e-10 6.169018000000001e-10 6.122609e-10 6.078243e-10 6.035750000000001e-10 6.006821000000001e-10 5.976375e-10 5.944244000000001e-10 5.910229000000001e-10 5.874096e-10 5.835564e-10 5.794292000000001e-10 5.749859e-10 5.701742e-10 5.649272e-10 5.591585e-10 5.527526e-10 5.455511000000001e-10 5.373281000000001e-10 5.277449e-10 5.162608e-10 5.019302e-10 4.8286e-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" [ 0.626636 1.54398 2.2366 2.74514 3.1262 3.41848 3.6481 3.83293 3.98513 4.11289 4.22165 4.31495 4.39511 4.46362 4.52147 4.56932 4.6077 4.63819 4.66387 4.6844 4.69971 4.71004 4.71582 4.71762 4.71681 4.71426 4.7098 4.70324 4.69441 4.6831 4.6691 4.6521 4.63165 4.60694 4.57648 4.53739 4.48401 4.40674 4.28987 4.07782 3.60061 2.31599 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0039815489516288e-19 2.4737286589827838e-19 3.5834282300812805e-19 4.398199128822913e-19 5.00872455194496e-19 5.477008734672385e-19 5.844900530340481e-19 6.141030835162944e-19 6.384882116848704e-19 6.589576201922112e-19 6.763828931200321e-19 6.91331200992096e-19 7.041742487844288e-19 7.151507608135296e-19 7.244193525648576e-19 7.3208576769538565e-19 7.382349215660161e-19 7.431199580828352e-19 7.472343476450496e-19 7.50523616247552e-19 7.529765486539968e-19 7.546315971032833e-19 7.555576551901056e-19 7.558460469818497e-19 7.557162706755648e-19 7.553077156372609e-19 7.545931448643841e-19 7.535421170011393e-19 7.521273950449729e-19 7.50315333286848e-19 7.480722860177281e-19 7.45348585762368e-19 7.42072134572832e-19 7.381131561428352e-19 7.332329261558785e-19 7.269700177451712e-19 7.184175989433408e-19 7.0603758019441925e-19 6.873129420271296e-19 6.533387867830657e-19 5.7688131626186885e-19 3.7106250320065926e-19 ] } }