{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.835 5.444033 5.201728 5.02568 4.887328 4.773341 4.67641 4.592087 4.517468 4.450548 4.389885 4.334409 4.283303 4.235927 4.191775 4.150434 4.11157 4.0749 4.040192 4.007245 3.97589 3.94598 3.917387 3.89 3.871356 3.851734 3.831025 3.809103 3.785815 3.760982 3.734382 3.705745 3.674734 3.640918 3.603739 3.562453 3.51604 3.463043 3.40128 3.327266 3.234906 3.112 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.835e-10 5.444033e-10 5.201728e-10 5.02568e-10 4.887328e-10 4.773341e-10 4.67641e-10 4.5920870000000006e-10 4.5174680000000003e-10 4.4505480000000006e-10 4.389885e-10 4.3344090000000003e-10 4.283303e-10 4.235927e-10 4.1917749999999997e-10 4.150434e-10 4.1115700000000003e-10 4.0749000000000006e-10 4.040192e-10 4.0072450000000003e-10 3.97589e-10 3.94598e-10 3.9173870000000003e-10 3.89e-10 3.871356e-10 3.851734e-10 3.831025e-10 3.809103e-10 3.785815e-10 3.760982e-10 3.734382e-10 3.705745e-10 3.674734e-10 3.6409180000000004e-10 3.603739e-10 3.5624530000000004e-10 3.51604e-10 3.463043e-10 3.40128e-10 3.327266e-10 3.234906e-10 3.112e-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" [ 0.914107 1.3122 1.63206 1.90516 2.14499 2.35886 2.55126 2.72518 2.88277 3.0256 3.15492 3.27168 3.37667 3.47056 3.55389 3.62713 3.69068 3.74492 3.79014 3.82663 3.85465 3.87441 3.88613 3.89 3.8881 3.88179 3.86998 3.85124 3.82374 3.78504 3.73187 3.65977 3.56251 3.4312 3.25281 3.00749 2.66041 2.13138 1.26778 -0.215428 -3.0297 -9.59072 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.464560876375838e-19 2.1023761791347998e-19 2.61484839728604e-19 3.0524028360314396e-19 3.43665285816366e-19 3.7793103748772395e-19 4.0875691592588397e-19 4.36621971944412e-19 4.618706735196179e-19 4.8475456238304e-19 5.05473910613928e-19 5.24180924992512e-19 5.41002177472878e-19 5.56045013889504e-19 5.69395951780626e-19 5.81130293448042e-19 5.913121259571119e-19 6.000023320199279e-19 6.07247374758876e-19 6.130937172963419e-19 6.175830162248099e-19 6.207489172535939e-19 6.22626668268642e-19 6.23246710626e-19 6.2294229706554e-19 6.21931323609486e-19 6.200391530047319e-19 6.17036673992616e-19 6.126306882491159e-19 6.06430264675536e-19 5.97911491512558e-19 5.863597979814179e-19 5.70777028039134e-19 5.4973884665808e-19 5.21157617684154e-19 4.81853020498866e-19 4.26244673885994e-19 3.4148472341749196e-19 2.0312074930525198e-19 -3.45153707909352e-20 -4.8541145480298e-19 -1.5366027487236477e-18 ] } }