{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28002 4.926238 4.706979 4.547675 4.422482 4.319336 4.231624 4.155321 4.087799 4.027244 3.972351 3.922151 3.875905 3.833036 3.793083 3.755674 3.720506 3.687324 3.655917 3.626104 3.597731 3.570665 3.544792 3.52001 3.503139 3.485383 3.466644 3.446807 3.425735 3.403263 3.379194 3.353281 3.325219 3.294619 3.260977 3.223618 3.18162 3.133663 3.077775 3.010801 2.927226 2.81601 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.280020000000001e-10 4.926238e-10 4.706979e-10 4.547675e-10 4.422482e-10 4.319336e-10 4.231624e-10 4.155321e-10 4.087799000000001e-10 4.027244e-10 3.9723510000000006e-10 3.922151e-10 3.875905e-10 3.833036e-10 3.7930830000000003e-10 3.7556740000000003e-10 3.720506e-10 3.687324e-10 3.655917e-10 3.6261040000000003e-10 3.597731e-10 3.570665e-10 3.544792e-10 3.5200100000000003e-10 3.503139e-10 3.4853830000000005e-10 3.4666440000000003e-10 3.446807e-10 3.425735e-10 3.403263e-10 3.379194e-10 3.353281e-10 3.3252190000000004e-10 3.294619e-10 3.2609770000000003e-10 3.223618e-10 3.1816200000000003e-10 3.133663e-10 3.0777750000000003e-10 3.010801e-10 2.927226e-10 2.81601e-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" [ 1.3028 1.83206 2.23049 2.55262 2.82208 3.05204 3.25079 3.42397 3.57563 3.70882 3.8259 3.92871 4.01879 4.09737 4.16551 4.22408 4.27385 4.31547 4.34952 4.37649 4.39683 4.41095 4.41918 4.42186 4.42057 4.41631 4.40843 4.39609 4.3782 4.35338 4.31978 4.27494 4.21549 4.13674 4.03196 3.89117 3.69899 3.43056 3.04308 2.45644 1.50201 -0.244192 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0873157187751997e-19 2.93528372408604e-19 3.57363896037066e-19 4.08974811948108e-19 4.52147063527872e-19 4.88990717403336e-19 5.2083397800408595e-19 5.48580472951698e-19 5.72879083782942e-19 5.942184743711879e-19 6.1297675840206e-19 6.294487363762139e-19 6.43881143495286e-19 6.5647104748525795e-19 6.67388279069334e-19 6.76772227614672e-19 6.8474626072209e-19 6.914145198727981e-19 6.96869931311568e-19 7.01191001693466e-19 7.044498289670219e-19 7.067121023742299e-19 7.08030693744012e-19 7.084600770819239e-19 7.082533962961379e-19 7.075708690500539e-19 7.063083538624619e-19 7.043312678961059e-19 7.014649738978799e-19 6.974883714922919e-19 6.9210505800205195e-19 6.849208979751959e-19 6.75395957886066e-19 6.627788168933159e-19 6.459912101222639e-19 6.234341652921779e-19 5.926435347399659e-19 5.496363073535039e-19 4.875551671392719e-19 3.93565077082296e-19 2.40648532603434e-19 -3.9123871660972795e-20 ] } }