{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 8.51372 7.943269 7.589726 7.332858 7.130991 6.964675 6.823244 6.700211 6.591336 6.493694 6.405182 6.324239 6.24967 6.180545 6.116123 6.055804 5.999098 5.945594 5.894952 5.84688 5.801131 5.757489 5.715769 5.67581 5.648607 5.619976 5.589761 5.557775 5.523797 5.487563 5.448752 5.406969 5.361721 5.31238 5.258133 5.197895 5.130175 5.052848 4.962732 4.854739 4.719979 4.54065 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.513719999999999e-10 7.943269e-10 7.589726e-10 7.332858000000001e-10 7.130991e-10 6.964675e-10 6.823244e-10 6.700211000000001e-10 6.591336e-10 6.493694e-10 6.405182e-10 6.324239000000001e-10 6.24967e-10 6.180545e-10 6.116123e-10 6.055804e-10 5.999098e-10 5.945594e-10 5.894952e-10 5.84688e-10 5.801131e-10 5.757489e-10 5.715769e-10 5.67581e-10 5.648607000000001e-10 5.619976000000001e-10 5.589761000000001e-10 5.557775e-10 5.523797e-10 5.487563e-10 5.448752e-10 5.406969e-10 5.361721000000001e-10 5.31238e-10 5.258133e-10 5.197895e-10 5.130175000000001e-10 5.052848e-10 4.962732e-10 4.854739000000001e-10 4.719979000000001e-10 4.54065e-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" [ 1.07723 1.46023 1.74178 1.9674 2.16027 2.34606 2.55143 2.78778 3.04801 3.31587 3.57544 3.81579 4.03081 4.21833 4.37887 4.5141 4.6262 4.71748 4.79011 4.84612 4.88726 4.91508 4.93094 4.936 4.93362 4.9259 4.91182 4.89013 4.85923 4.8171 4.76112 4.6902 4.601 4.47893 4.31916 4.10957 3.83069 3.45171 2.92077 2.14332 0.926426 -1.19688 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.725912721224384e-19 2.339546366990784e-19 2.7906391945770243e-19 3.1521222837619202e-19 3.4611340886156166e-19 3.7588024829940484e-19 4.087841495607744e-19 4.466515939933825e-19 4.883450361964609e-19 5.312609391612096e-19 5.728486377073152e-19 6.113569527882432e-19 6.458069544886848e-19 6.758509704819264e-19 7.015723139522496e-19 7.23238548395328e-19 7.411989483144961e-19 7.558236165091585e-19 7.674602253060289e-19 7.764340165591296e-19 7.830253711771009e-19 7.874826265361664e-19 7.900236786567552e-19 7.9083438002688e-19 7.904530619911297e-19 7.892161816398721e-19 7.869603169577856e-19 7.834851958672705e-19 7.785344701089985e-19 7.71784500005568e-19 7.628155152823296e-19 7.51452878687616e-19 7.3716146323008005e-19 7.176036932199744e-19 6.920057173494529e-19 6.584256975541056e-19 6.137441959532352e-19 5.530249063781568e-19 4.679589408734016e-19 3.433977194893056e-19 1.4842980781012608e-19 -1.917613153903104e-19 ] } }