{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.61444 8.037241 7.679516 7.419609 7.215354 7.047071 6.903967 6.779479 6.669316 6.570519 6.48096 6.399059 6.323608 6.253666 6.188482 6.127449 6.070072 6.015936 5.964694 5.916054 5.869763 5.825605 5.783392 5.74296 5.702085 5.659963 5.616516 5.571657 5.525292 5.477316 5.427612 5.376053 5.322494 5.266773 5.208709 5.148096 5.0847 5.018253 4.948445 4.874921 4.79726 4.71497 4.627463 4.534034 4.433822 4.325764 4.208527 4.080406 3.93917 3.781826 3.604219 3.40035 3.161081 2.87148 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.61444e-10 8.037241000000001e-10 7.679516e-10 7.419609000000001e-10 7.215354e-10 7.047071e-10 6.903967e-10 6.779479000000001e-10 6.669316000000001e-10 6.570519e-10 6.48096e-10 6.399059000000001e-10 6.323608e-10 6.253666e-10 6.188481999999999e-10 6.127449000000001e-10 6.070072e-10 6.015936e-10 5.964694e-10 5.916054e-10 5.869763e-10 5.825605000000001e-10 5.783392e-10 5.74296e-10 5.702085000000001e-10 5.659963000000001e-10 5.616516e-10 5.571657e-10 5.525292e-10 5.477316e-10 5.427612e-10 5.376053e-10 5.322494e-10 5.266773e-10 5.208709e-10 5.148096e-10 5.0847e-10 5.018253e-10 4.948445000000001e-10 4.874921e-10 4.79726e-10 4.714970000000001e-10 4.627463e-10 4.534034e-10 4.4338220000000005e-10 4.3257640000000006e-10 4.2085270000000003e-10 4.080406e-10 3.93917e-10 3.7818260000000003e-10 3.604219e-10 3.40035e-10 3.1610809999999997e-10 2.87148e-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" [ 1.84683 2.2689 2.57931 2.82895 3.03795 3.21684 3.37204 3.50781 3.62719 3.73244 3.82529 3.90712 3.97905 4.042 4.09673 4.14392 4.18411 4.21781 4.24544 4.26737 4.28395 4.29548 4.30221 4.30441 4.30205 4.2944 4.28054 4.25932 4.22939 4.18916 4.13666 4.06954 3.98493 3.87929 3.74828 3.5865 3.38715 3.14167 2.83912 2.4654 2.00208 1.42481 0.700899 -0.214241 -1.38261 -2.89229 -4.87152 -7.51258 -11.1138 -16.1576 -23.4648 -34.5232 -52.2623 -83.1292 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.95894787297022e-19 3.6351785648825996e-19 4.1325102138425397e-19 4.5324775887543e-19 4.867332505260299e-19 5.15394588331656e-19 5.40260369691336e-19 5.62013121851154e-19 5.81139906507846e-19 5.98002815580696e-19 6.128790256273859e-19 6.259896370234079e-19 6.3751409355177e-19 6.475997954627999e-19 6.563685081806819e-19 6.639291797165279e-19 6.70368327608574e-19 6.75767662865154e-19 6.80194476904896e-19 6.837080502632579e-19 6.863644591224299e-19 6.88211768781432e-19 6.892900336561139e-19 6.896425125155939e-19 6.8926439882997e-19 6.880387337049601e-19 6.85818116890236e-19 6.824182980728879e-19 6.77622983407326e-19 6.71177426808744e-19 6.62765999480244e-19 6.520121899128359e-19 6.384561734125619e-19 6.21530779450986e-19 6.005406633689519e-19 5.746206497840999e-19 5.4268125858531e-19 5.033510265738779e-19 4.548771725122079e-19 3.950006273463599e-19 3.20768579539872e-19 2.2827972898895397e-19 1.122964000593966e-19 -3.43251924244794e-20 -2.21518543593474e-19 -4.63395945675186e-19 -7.80503551606368e-19 -1.2036480137055719e-18 -1.7806270674949197e-18 -2.5887329181518396e-18 -3.7594754281483196e-18 -5.53122643709088e-18 -8.37334358990982e-18 -1.3318766184311278e-17 ] } }