{ "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" [ "Lu" "Lu" "Lu" "Lu" ] } "a" { "source-value" [ 7.71522 7.198272 6.877888 6.645112 6.462178 6.311462 6.183295 6.071802 5.973138 5.884654 5.804444 5.731092 5.663517 5.600876 5.542496 5.487834 5.436446 5.387961 5.342069 5.298506 5.257047 5.217498 5.179692 5.14348 5.118828 5.092883 5.065501 5.036514 5.005723 4.972887 4.937716 4.899852 4.858847 4.814134 4.764975 4.710386 4.649017 4.578942 4.497277 4.399413 4.277291 4.11478 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.715220000000001e-10 7.198272e-10 6.877888e-10 6.645112000000001e-10 6.462178e-10 6.311462e-10 6.183295e-10 6.071802e-10 5.973137999999999e-10 5.884654e-10 5.804444000000001e-10 5.731092000000001e-10 5.663517e-10 5.600876e-10 5.542496e-10 5.487834000000001e-10 5.436446e-10 5.387961e-10 5.342069000000001e-10 5.298506e-10 5.257047e-10 5.217498e-10 5.179692000000001e-10 5.143480000000001e-10 5.118828e-10 5.092883e-10 5.065501e-10 5.036514e-10 5.005723e-10 4.972887e-10 4.937716e-10 4.899852e-10 4.858847e-10 4.814134e-10 4.764975e-10 4.710386e-10 4.649017e-10 4.578942e-10 4.4972770000000005e-10 4.3994130000000003e-10 4.277291e-10 4.11478e-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" [ 1.9373 2.89471 3.74193 4.51726 5.23759 5.91148 6.54669 7.14446 7.70601 8.23379 8.7273 9.18659 9.61201 10.0039 10.361 10.683 10.9694 11.2204 11.4345 11.611 11.7492 11.8488 11.9102 11.9308 11.9204 11.8855 11.8188 11.7113 11.5505 11.3193 10.9944 10.5426 9.91622 9.04547 7.81979 6.06496 3.49002 -0.423865 -6.66887 -17.3689 -37.7724 -84.2351 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1038967674758404e-19 4.637836685995968e-19 5.995232762670144e-19 7.237448362075008e-19 8.391544247335872e-19 9.471235050326784e-19 1.0488953661625153e-18 1.1446686780240768e-18 1.2346389061651009e-18 1.3191985838576834e-18 1.398267602270784e-18 1.4718539722875074e-18 1.5400137700895809e-18 1.602801469682112e-18 1.6600151968108802e-18 1.71160528400064e-18 1.757491622420352e-18 1.797706255602432e-18 1.83200885705376e-18 1.86028727441088e-18 1.8824293553103363e-18 1.8983870344535043e-18 1.9082243989052162e-18 1.911524882744064e-18 1.9098586190584323e-18 1.9042670226518403e-18 1.893580504591104e-18 1.8763571059175042e-18 1.85059410585504e-18 1.813551782382144e-18 1.761497063972352e-18 1.689110724244608e-18 1.5887535850709375e-18 1.4492440558147776e-18 1.2528684717565633e-18 9.717137118087168e-19 5.591628450124417e-19 -6.791065933753921e-20 -1.0684707601154497e-18 -2.782804550901312e-18 -6.051805619150592e-18 -1.349595078707501e-17 ] } }