{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.0752 8.467127 8.090268 7.81646 7.60128 7.423996 7.273238 7.142091 7.026035 6.921953 6.827604 6.741322 6.661836 6.588152 6.519482 6.455185 6.394738 6.337707 6.283725 6.232482 6.183715 6.137196 6.092725 6.05013 6.007069 5.962694 5.916923 5.869665 5.82082 5.770278 5.717916 5.663599 5.607175 5.548475 5.487305 5.42345 5.356663 5.286662 5.213121 5.135664 5.053849 4.967158 4.874971 4.776545 4.670973 4.557136 4.433629 4.298655 4.149865 3.984105 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.075200000000001e-10 8.467127e-10 8.090268000000001e-10 7.816460000000001e-10 7.60128e-10 7.423996e-10 7.273238e-10 7.142091e-10 7.026035e-10 6.921953e-10 6.827604000000001e-10 6.741322e-10 6.661836000000001e-10 6.588152e-10 6.519482000000001e-10 6.455185e-10 6.394738e-10 6.337707e-10 6.283724999999999e-10 6.232482e-10 6.183715000000001e-10 6.137196e-10 6.092725e-10 6.050130000000001e-10 6.007069e-10 5.962694000000001e-10 5.916923e-10 5.869665e-10 5.82082e-10 5.770278e-10 5.717916e-10 5.663599e-10 5.607175e-10 5.548475e-10 5.487305e-10 5.423450000000001e-10 5.356663e-10 5.286662e-10 5.213121000000001e-10 5.135664e-10 5.053849e-10 4.967158e-10 4.874971e-10 4.776545e-10 4.670973e-10 4.557136e-10 4.433629e-10 4.2986550000000005e-10 4.1498650000000005e-10 3.9841050000000003e-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" [ 0.758456 1.1222 1.45145 1.7283 1.9595 2.16083 2.34156 2.50654 2.65708 2.79271 2.91317 3.01911 3.11175 3.19234 3.26218 3.32196 3.37258 3.41474 3.44904 3.47603 3.49624 3.51013 3.51817 3.52077 3.51823 3.50952 3.49387 3.47024 3.4374 3.39396 3.33839 3.26904 3.18413 3.08092 2.95584 2.80449 2.62132 2.39984 2.12962 1.79828 1.3901 0.885213 0.256274 -0.53434 -1.54301 -2.85397 -4.5931 -6.95564 -10.251 -14.9978 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2151804811171039e-19 1.7979626186748e-19 2.3254792754193e-19 2.7690418765421997e-19 3.1394651143229997e-19 3.4620313360462195e-19 3.7515927191090394e-19 4.01591982018636e-19 4.25711149066872e-19 4.47441470753814e-19 4.667412904869779e-19 4.837147497475739e-19 4.9855731408494995e-19 5.11469255578356e-19 5.226588571902119e-19 5.32236669108264e-19 5.40346887229572e-19 5.47101663918516e-19 5.52597129773136e-19 5.56921404508302e-19 5.601594034856159e-19 5.62384826830242e-19 5.63672976843978e-19 5.64089542768818e-19 5.636825899037819e-19 5.62287094055568e-19 5.597796876233579e-19 5.55993744237216e-19 5.507321961711599e-19 5.43772340873064e-19 5.34869045317926e-19 5.23757950361136e-19 5.10153868561842e-19 4.936178035223279e-19 4.735777781842559e-19 4.493288348286659e-19 4.1998176542368793e-19 3.84496757333856e-19 3.41202740329908e-19 2.88116219738952e-19 2.2271857389234e-19 1.418267584713042e-19 4.10596214701716e-20 -8.5610706261156e-20 -2.4721745680283397e-19 -4.57256404813698e-19 -7.358957497625399e-19 -1.1144163882515758e-18 -1.6423912675133997e-18 -2.40291247214052e-18 ] } }