{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.4225 5.059172 4.833997 4.670394 4.541823 4.435894 4.345815 4.267454 4.19811 4.13592 4.079546 4.027992 3.980499 3.936472 3.895441 3.857023 3.820906 3.786829 3.754574 3.723957 3.694818 3.667022 3.640451 3.615 3.589271 3.562756 3.535408 3.50717 3.477985 3.447786 3.416499 3.384044 3.350331 3.315256 3.278707 3.240553 3.200647 3.158821 3.11488 3.068598 3.019714 2.967915 2.912832 2.854022 2.790942 2.722923 2.649126 2.568478 2.479575 2.380532 2.268735 2.140406 1.989794 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.422500000000001e-10 5.059172000000001e-10 4.833997e-10 4.670394e-10 4.541823e-10 4.4358940000000003e-10 4.3458150000000003e-10 4.267454e-10 4.19811e-10 4.13592e-10 4.079546e-10 4.0279920000000005e-10 3.980499e-10 3.936472e-10 3.895441e-10 3.857023e-10 3.820906e-10 3.786829e-10 3.754574e-10 3.723957e-10 3.694818e-10 3.667022e-10 3.6404510000000004e-10 3.6150000000000004e-10 3.5892710000000003e-10 3.562756e-10 3.535408e-10 3.50717e-10 3.477985e-10 3.447786e-10 3.416499e-10 3.384044e-10 3.3503310000000004e-10 3.3152560000000004e-10 3.278707e-10 3.2405529999999997e-10 3.2006470000000003e-10 3.158821e-10 3.11488e-10 3.068598e-10 3.019714e-10 2.9679150000000003e-10 2.912832e-10 2.854022e-10 2.790942e-10 2.722923e-10 2.649126e-10 2.5684779999999997e-10 2.479575e-10 2.380532e-10 2.268735e-10 2.140406e-10 1.989794e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.970907 1.39293 1.71672 1.98096 2.20339 2.39409 2.55947 2.70395 2.83073 2.94224 3.04037 3.12661 3.20221 3.26817 3.32536 3.37452 3.41626 3.45114 3.47964 3.50219 3.51917 3.53093 3.53778 3.54 3.53762 3.52996 3.51611 3.495 3.46534 3.42561 3.37395 3.30812 3.22587 3.12864 3.0136 2.87571 2.70877 2.50508 2.25528 1.94806 1.56747 1.09258 0.502886 -0.230647 -1.15813 -2.33819 -3.86526 -5.86565 -8.53228 -12.1143 -17.0061 -23.7696 -32.7207 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5555645091870378e-19 2.23171989879762e-19 2.75048867112048e-19 3.17384782488864e-19 3.53021997358926e-19 3.8357550576930596e-19 4.10072302942398e-19 4.3322055095042997e-19 4.53532946316282e-19 4.7139881796201595e-19 4.871209772714579e-19 5.009381485630739e-19 5.130506039161139e-19 5.23618560993978e-19 5.327814091638239e-19 5.40657709496568e-19 5.47345194766884e-19 5.52933586866276e-19 5.574997902731759e-19 5.61112698582846e-19 5.63833194507378e-19 5.65717354228962e-19 5.66814845223252e-19 5.67170528436e-19 5.667892103971079e-19 5.65561943095464e-19 5.63342928457374e-19 5.59960733583e-19 5.552086776865559e-19 5.488432299196739e-19 5.405663854284299e-19 5.30019256646808e-19 5.168413538321579e-19 5.01263390419776e-19 4.828319504222399e-19 4.60739536816014e-19 4.339928000880179e-19 4.0135806423007197e-19 3.6133569191275195e-19 3.12113621363004e-19 2.5113638084959795e-19 1.7505061467757201e-19 8.05712198765724e-20 -3.6953723410219794e-20 -1.85552882513442e-19 -3.74619338385246e-19 -6.1928292563348395e-19 -9.397807373222098e-19 -1.367021965074552e-18 -1.94092483972662e-18 -2.72467760554674e-18 -3.8083097719526395e-18 -5.24243409881238e-18 ] } }