{ "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" [ 5.28003 4.926248 4.706989 4.547685 4.422492 4.319346 4.231634 4.155331 4.087809 4.027254 3.972361 3.922161 3.875915 3.833046 3.793093 3.755684 3.720516 3.687334 3.655927 3.626114 3.597741 3.570675 3.544802 3.52002 3.503149 3.485393 3.466654 3.446817 3.425745 3.403273 3.379204 3.353291 3.325229 3.294629 3.260987 3.223628 3.18163 3.133673 3.077785 3.010811 2.927236 2.81602 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.280030000000001e-10 4.926248000000001e-10 4.706989e-10 4.5476850000000006e-10 4.422492e-10 4.3193460000000005e-10 4.2316339999999996e-10 4.1553310000000007e-10 4.0878090000000004e-10 4.0272540000000005e-10 3.972361e-10 3.922161e-10 3.875915e-10 3.8330460000000003e-10 3.793093e-10 3.7556840000000003e-10 3.720516e-10 3.6873340000000003e-10 3.655927e-10 3.626114e-10 3.597741e-10 3.570675e-10 3.544802e-10 3.5200200000000004e-10 3.503149e-10 3.4853930000000005e-10 3.4666540000000004e-10 3.446817e-10 3.425745e-10 3.403273e-10 3.3792040000000003e-10 3.353291e-10 3.3252290000000005e-10 3.294629e-10 3.2609870000000004e-10 3.223628e-10 3.1816300000000004e-10 3.133673e-10 3.0777850000000003e-10 3.010811e-10 2.927236e-10 2.81602e-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 2.2305 2.55263 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 4.34951 4.37648 4.39683 4.41094 4.41918 4.42186 4.42056 4.41631 4.40843 4.39608 4.3782 4.35337 4.31977 4.27493 4.21549 4.13674 4.03196 3.89116 3.69899 3.43056 3.04309 2.45645 1.44604 -0.953085 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0873157187751997e-19 2.93528372408604e-19 3.573654982137e-19 4.08976414124742e-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 6.96868329134934e-19 7.011893995168319e-19 7.044498289670219e-19 7.067105001975959e-19 7.08030693744012e-19 7.084600770819239e-19 7.08251794119504e-19 7.075708690500539e-19 7.063083538624619e-19 7.0432966571947205e-19 7.014649738978799e-19 6.97486769315658e-19 6.92103455825418e-19 6.84919295798562e-19 6.75395957886066e-19 6.627788168933159e-19 6.459912101222639e-19 6.2343256311554395e-19 5.926435347399659e-19 5.496363073535039e-19 4.875567693159059e-19 3.9356667925892993e-19 2.31681149982936e-19 -1.52701051721589e-19 ] } }