{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.87213 9.210661 8.800709 8.502857 8.268781 8.075929 7.911932 7.769269 7.643022 7.529801 7.427167 7.333308 7.246842 7.166688 7.091987 7.022044 6.956289 6.89425 6.835527 6.779785 6.726736 6.676131 6.627755 6.58142 6.534577 6.486306 6.436515 6.385107 6.331973 6.276992 6.220032 6.160946 6.099567 6.035711 5.96917 5.899707 5.827055 5.750907 5.670908 5.586649 5.497649 5.403345 5.303063 5.195993 5.08115 4.957317 4.822963 4.676137 4.514281 4.333964 4.130428 3.896794 3.622592 3.29071 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.87213e-10 9.210661e-10 8.800709e-10 8.502857e-10 8.268781000000001e-10 8.075929000000001e-10 7.911932e-10 7.769269000000001e-10 7.643022e-10 7.529801000000001e-10 7.427167e-10 7.333308e-10 7.246842e-10 7.166688e-10 7.091987e-10 7.022044000000001e-10 6.956289000000001e-10 6.89425e-10 6.835527e-10 6.779785000000001e-10 6.726736e-10 6.676131e-10 6.627755e-10 6.58142e-10 6.534577e-10 6.486306e-10 6.436515e-10 6.385107e-10 6.331973e-10 6.276992e-10 6.220032e-10 6.160946e-10 6.099567e-10 6.035711000000001e-10 5.96917e-10 5.899707e-10 5.827055e-10 5.750907e-10 5.670908e-10 5.586649e-10 5.497649e-10 5.403345e-10 5.303063e-10 5.195993e-10 5.081150000000001e-10 4.957317e-10 4.822962999999999e-10 4.676137e-10 4.514281000000001e-10 4.333964e-10 4.130428e-10 3.896794e-10 3.622592e-10 3.29071e-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" [ 0.901205 1.27059 1.55222 1.78145 1.9742 2.13937 2.2826 2.40776 2.51762 2.6143 2.69942 2.77428 2.83995 2.8973 2.94707 2.98989 3.02629 3.05675 3.08168 3.10144 3.11634 3.12669 3.13272 3.13469 3.13258 3.12577 3.11343 3.09458 3.06805 3.03245 2.9861 2.92698 2.85262 2.76001 2.64547 2.50441 2.3311 2.11836 1.85701 1.53531 1.13796 0.644862 0.0291302 -0.745711 -1.7301 -2.99526 -4.64437 -6.83098 -9.79184 -13.9068 -19.8169 -28.6737 -42.7212 -66.8408 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.44388959344397e-19 2.03570960939406e-19 2.4869306148274796e-19 2.8541975646393e-19 3.1630171108427996e-19 3.42764862548058e-19 3.6571283847683997e-19 3.85765681227984e-19 4.0336719372910796e-19 4.1885703742662e-19 4.3249476493522794e-19 4.44488659217352e-19 4.5501015317283e-19 4.6419863616882e-19 4.72172669276238e-19 4.790331896230259e-19 4.84865112570786e-19 4.8974534259795e-19 4.93739568946512e-19 4.96905469975296e-19 4.992927131599559e-19 5.00950965976146e-19 5.01917078486448e-19 5.02232707283346e-19 5.018946480135719e-19 5.00803565725818e-19 4.98826479759462e-19 4.9580637680437195e-19 4.9155580219437e-19 4.858520533773299e-19 4.7842596467874e-19 4.68953896418532e-19 4.57040110968108e-19 4.422023531606339e-19 4.23851021994798e-19 4.01250718395594e-19 3.7348339515174e-19 3.3939868944002396e-19 2.97525803110434e-19 2.4598378079465398e-19 1.82321292242664e-19 1.033182828554508e-19 4.667172578374679e-21 -1.194760739916774e-19 -2.7719257944833997e-19 -4.79893558475484e-19 -7.44110109365058e-19 -1.094443654332132e-18 -1.568825725186656e-18 -2.22811500137112e-18 -3.17501741383146e-18 -4.594033215032579e-18 -6.8446908416440804e-18 -1.0709076795786719e-17 ] } }