{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.1405 7.595056 7.257012 7.011405 6.818388 6.659363 6.524132 6.406493 6.302391 6.209029 6.124398 6.047002 5.975703 5.909608 5.84801 5.790336 5.736115 5.684957 5.636535 5.590571 5.546827 5.505098 5.465208 5.427 5.388374 5.348569 5.307512 5.265122 5.221307 5.175971 5.129002 5.080279 5.029667 4.977012 4.922142 4.864864 4.804955 4.742164 4.676197 4.606717 4.533329 4.455566 4.372874 4.284585 4.189887 4.087774 3.976987 3.855915 3.722449 3.573761 3.405926 3.213273 2.987168 2.7135 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1405e-10 7.595055999999999e-10 7.257012e-10 7.011405e-10 6.818388e-10 6.659363e-10 6.524132e-10 6.406493e-10 6.302391e-10 6.209029e-10 6.124398e-10 6.047002000000001e-10 5.975703e-10 5.909608e-10 5.848010000000001e-10 5.790336e-10 5.736115e-10 5.684957e-10 5.636535000000001e-10 5.590571e-10 5.546827e-10 5.505098e-10 5.465207999999999e-10 5.427e-10 5.388374e-10 5.348569000000001e-10 5.307512e-10 5.265122000000001e-10 5.221307000000001e-10 5.175971e-10 5.129002e-10 5.080279e-10 5.029667000000001e-10 4.977012e-10 4.922142e-10 4.864864e-10 4.804955e-10 4.742164e-10 4.676197e-10 4.606717e-10 4.533329e-10 4.455566e-10 4.3728740000000005e-10 4.284585e-10 4.1898869999999997e-10 4.0877739999999996e-10 3.976987e-10 3.855915e-10 3.722449e-10 3.573761e-10 3.405926e-10 3.2132730000000003e-10 2.987168e-10 2.7135e-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" [ 1.52104 1.78375 1.95205 2.08537 2.20918 2.32954 2.44435 2.55023 2.64605 2.73185 2.80866 2.87797 2.94085 2.99812 3.05042 3.09826 3.14201 3.18129 3.21537 3.24365 3.26579 3.28162 3.29108 3.29421 3.2908 3.27974 3.25964 3.22889 3.18564 3.12769 3.05255 2.95733 2.83867 2.69257 2.51431 2.29823 2.03714 1.71832 1.32374 0.830717 0.210922 -0.571002 -1.56066 -2.81837 -4.42846 -6.50909 -9.23908 -12.8966 -17.9296 -25.1202 -35.9244 -53.5333 -84.6409 -146.149 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.43697474737936e-19 2.8578825708975e-19 3.1275288983997e-19 3.34113108724458e-19 3.53949657630012e-19 3.73233455596836e-19 3.9162804553178997e-19 4.0859189173258197e-19 4.2394394823956993e-19 4.3769062375929e-19 4.49996942485044e-19 4.61101628735298e-19 4.7117611540989e-19 4.80351780992808e-19 4.887311647886279e-19 4.963959778056839e-19 5.03405500579434e-19 5.09698850397786e-19 5.151590683664579e-19 5.1969002388741e-19 5.232372429550859e-19 5.25773488566708e-19 5.27289147662472e-19 5.27790628948914e-19 5.2724428671672e-19 5.254722793595159e-19 5.22251904325176e-19 5.17325211175626e-19 5.103957972335759e-19 5.011111836395459e-19 4.8907242841167e-19 4.73816502502722e-19 4.548050745636779e-19 4.3139727394093794e-19 4.02836873263254e-19 3.6821704055578203e-19 3.2638581081867596e-19 2.75305215373488e-19 2.1208652974911597e-19 1.3309553668665779e-19 3.37934299996548e-20 -9.14846062367268e-20 -2.5004529856184397e-19 -4.515526559966579e-19 -7.09517513660364e-19 -1.0428711906603058e-18 -1.4802638095656718e-18 -2.06626311780444e-18 -2.87263861769664e-18 -4.02469974814068e-18 -5.7557234270469595e-18 -8.576980240091219e-18 -1.356096722607306e-17 -2.34156512882466e-17 ] } }