{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 9.70341 9.053246 8.6503 8.357538 8.127463 7.937907 7.776713 7.636488 7.512399 7.401112 7.300232 7.207978 7.122989 7.044205 6.970781 6.902034 6.837403 6.776423 6.718704 6.663915 6.611772 6.562032 6.514483 6.46894 6.422898 6.375451 6.326512 6.275982 6.223756 6.169715 6.113729 6.055652 5.995322 5.932557 5.867153 5.798878 5.727468 5.652621 5.573989 5.49117 5.403692 5.310999 5.212431 5.107191 4.994311 4.872593 4.740536 4.596219 4.437129 4.259894 4.059836 3.830196 3.56068 3.23447 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.70341e-10 9.053246000000001e-10 8.6503e-10 8.357538e-10 8.127463000000001e-10 7.937907e-10 7.776713000000001e-10 7.636488e-10 7.512399000000001e-10 7.401112e-10 7.300232e-10 7.207978e-10 7.122989e-10 7.044205e-10 6.970781e-10 6.902034e-10 6.837403000000001e-10 6.776423000000001e-10 6.718704e-10 6.663915000000001e-10 6.611772e-10 6.562032000000001e-10 6.514483e-10 6.468940000000001e-10 6.422898e-10 6.375451e-10 6.326512000000001e-10 6.275982e-10 6.223756e-10 6.169715000000001e-10 6.113729e-10 6.055652e-10 5.995322e-10 5.932557000000001e-10 5.867153000000001e-10 5.798878000000001e-10 5.727468e-10 5.652621e-10 5.573989e-10 5.49117e-10 5.403692e-10 5.310999e-10 5.212431e-10 5.107191000000001e-10 4.994311e-10 4.872593e-10 4.740535999999999e-10 4.596219e-10 4.437129e-10 4.259894e-10 4.059836e-10 3.830196e-10 3.5606800000000003e-10 3.2344700000000003e-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" [ -0.145366 -0.0761049 -0.00954175 0.0538349 0.11502 0.175355 0.236651 0.302037 0.380037 0.684558 0.8092 0.876076 0.923614 0.960204 0.989323 1.01282 1.03183 1.04711 1.0592 1.06852 1.07538 1.08005 1.08272 1.08358 1.08267 1.0798 1.07467 1.06694 1.05622 1.04201 1.02376 1.00078 0.972244 0.937143 0.89424 0.841968 0.778332 0.700777 0.606004 0.489693 0.346131 0.167656 -0.0561268 -0.339554 -0.702696 -1.17418 -1.79569 -2.62943 -3.77121 -5.37438 -7.69755 -11.2043 -16.7539 -25.7782 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.3290200857804398e-20 -1.219334925129066e-20 -1.5287568897469498e-21 8.625301887372659e-21 1.8428235644268e-20 2.8094968365507e-20 3.79156702612734e-20 4.8391662400345795e-20 6.08886401455458e-20 1.0967828322177718e-19 1.2964813322328e-19 1.4036284968081838e-19 1.479792769635276e-19 1.5384164126733357e-19 1.585070194078782e-19 1.62271653844788e-19 1.65317391626022e-19 1.67765517522774e-19 1.6970254907327997e-19 1.7119577769616796e-19 1.7229487086709198e-19 1.7304308735516999e-19 1.7347086851644798e-19 1.7360865570697199e-19 1.73462857633278e-19 1.7300303293932e-19 1.72181116326078e-19 1.7094263378799598e-19 1.6922510043634797e-19 1.66948407439434e-19 1.6402443508238398e-19 1.60342633177452e-19 1.557706619346696e-19 1.501468617316662e-19 1.43273043318816e-19 1.348981456175712e-19 1.2470253438944879e-19 1.122768535044618e-19 9.70925448910536e-20 7.845746824333619e-20 5.545630005030539e-20 2.68614525749904e-20 -8.992504750119119e-21 -5.44025484781236e-20 -1.125843112005264e-19 -1.88124376011012e-19 -2.8770125599074596e-19 -4.21281130673862e-19 -6.04214454390714e-19 -8.61070605823692e-19 -1.2332834749046698e-18 -1.7951267660326197e-18 -2.68427071083726e-18 -4.130122970657879e-18 ] } }