{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6135 9.902359 9.461622 9.141403 8.88975 8.682416 8.506104 8.352728 8.217001 8.095278 7.984937 7.88403 7.79107 7.704897 7.624587 7.549392 7.4787 7.412001 7.348869 7.288941 7.231908 7.177503 7.125495 7.07568 7.025319 6.973423 6.919893 6.864624 6.807499 6.74839 6.687152 6.623628 6.55764 6.488989 6.41745 6.342771 6.264663 6.182796 6.096789 6.006202 5.910519 5.809133 5.701319 5.586209 5.462741 5.329608 5.185165 5.027311 4.8533 4.659442 4.44062 4.189441 3.894646 3.53784 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06135e-09 9.902359e-10 9.461622e-10 9.141403000000001e-10 8.889749999999999e-10 8.682416e-10 8.506104e-10 8.352728000000001e-10 8.217001e-10 8.095278000000001e-10 7.984937e-10 7.88403e-10 7.791070000000001e-10 7.704897e-10 7.624587000000001e-10 7.549392e-10 7.4787e-10 7.412001e-10 7.348869e-10 7.288941e-10 7.231908e-10 7.177503e-10 7.125495e-10 7.075680000000001e-10 7.025319e-10 6.973423000000001e-10 6.919893e-10 6.864624000000001e-10 6.807499e-10 6.74839e-10 6.687152000000001e-10 6.623628e-10 6.557640000000001e-10 6.488989000000001e-10 6.417449999999999e-10 6.342771e-10 6.264663e-10 6.182796e-10 6.096789000000001e-10 6.006202e-10 5.910519e-10 5.809133e-10 5.701319e-10 5.586209000000001e-10 5.462741000000001e-10 5.329608e-10 5.185165e-10 5.027311e-10 4.8533e-10 4.659442e-10 4.4406200000000003e-10 4.1894410000000007e-10 3.894646e-10 3.5378400000000003e-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" [ 0.559771 0.734073 0.868521 0.98245 1.08166 1.16908 1.24663 1.31566 1.3772 1.43208 1.48095 1.52437 1.5628 1.59662 1.62619 1.65179 1.67369 1.69211 1.70727 1.71933 1.72848 1.73484 1.73857 1.73979 1.73848 1.73422 1.72648 1.71461 1.69785 1.67528 1.64578 1.608 1.5603 1.50065 1.42658 1.33498 1.22196 1.08261 0.910661 0.698027 0.43415 0.105077 -0.307917 -0.830354 -1.49771 -2.36032 -3.49144 -5.00074 -7.05816 -9.93811 -14.1065 -20.4065 -30.4935 -48.0011 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.96852016590814e-20 1.1761146082502818e-19 1.3915240523383138e-19 1.5740584340732999e-19 1.73301037793244e-19 1.8730726592767197e-19 1.9973214572434198e-19 2.10791971028844e-19 2.2065176603448e-19 2.2944451140187197e-19 2.3727434861223e-19 2.4423099955705797e-19 2.5038816436151997e-19 2.5580672573770795e-19 2.60544362044446e-19 2.64645934227486e-19 2.6815470105594595e-19 2.71105910415774e-19 2.73534810192918e-19 2.75467035213522e-19 2.76933026833632e-19 2.7795201117285595e-19 2.7854962305733795e-19 2.7874508860668597e-19 2.7853520346763197e-19 2.77852676221548e-19 2.76612591506832e-19 2.7471080784227396e-19 2.7202555980369e-19 2.68409447140752e-19 2.63683026070452e-19 2.576300027472e-19 2.4998762020302e-19 2.4043063658121e-19 2.28563314253172e-19 2.13887376285732e-19 1.9577957596826397e-19 1.73453244573474e-19 1.459039775695074e-19 1.1183625493011178e-19 6.955849856511e-20 1.68351914170818e-20 -4.93337422611378e-20 -1.330373776748436e-19 -2.39959596650814e-19 -3.78164955276288e-19 -5.59390358701296e-19 -8.01206878070916e-19 -1.130841903103344e-18 -1.592260762812174e-18 -2.2601104687521e-18 -3.2694817481721e-18 -4.8855973188879e-18 -7.69062408262974e-18 ] } }