{ "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" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" ] } "a" { "source-value" [ 13.7427 12.821892 12.251213 11.836583 11.510735 11.242273 11.013978 10.815382 10.639638 10.482027 10.339154 10.208496 10.08813 9.97655 9.872562 9.775197 9.683662 9.597299 9.515554 9.437957 9.364109 9.293664 9.226321 9.16182 9.096612 9.029414 8.960102 8.888538 8.814571 8.738034 8.658742 8.576489 8.491045 8.402153 8.309523 8.212826 8.111689 8.005685 7.89432 7.777025 7.653132 7.521853 7.382253 7.233204 7.073335 6.900949 6.713919 6.509526 6.28421 6.033197 5.749859 5.424624 5.042914 4.58091 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.37427e-09 1.2821892e-09 1.2251213e-09 1.1836583e-09 1.1510735000000001e-09 1.1242273000000001e-09 1.1013978e-09 1.0815382e-09 1.0639638e-09 1.0482027e-09 1.0339154e-09 1.0208496000000001e-09 1.008813e-09 9.97655e-10 9.872562e-10 9.775197e-10 9.683662e-10 9.597299e-10 9.515554e-10 9.437957e-10 9.364109e-10 9.293664e-10 9.226321000000001e-10 9.161820000000001e-10 9.096612000000001e-10 9.029413999999999e-10 8.960102e-10 8.888538000000001e-10 8.814571000000001e-10 8.738034000000001e-10 8.658742e-10 8.576489000000001e-10 8.491045e-10 8.402153000000001e-10 8.309523000000001e-10 8.212826e-10 8.111689000000001e-10 8.005685e-10 7.894319999999999e-10 7.777025000000001e-10 7.653132e-10 7.521853e-10 7.382253000000001e-10 7.233204e-10 7.073335000000001e-10 6.900949e-10 6.713919e-10 6.509526e-10 6.28421e-10 6.033197e-10 5.749859e-10 5.424623999999999e-10 5.042914e-10 4.5809100000000003e-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" [ 1.1573 1.73473 2.24221 2.70733 3.14208 3.54934 3.93354 4.29468 4.63391 4.95191 5.24938 5.52692 5.78375 6.01978 6.23572 6.43119 6.6051 6.75708 6.88674 6.99366 7.07739 7.13747 7.17446 7.18695 7.17285 7.1257 7.03679 6.8957 6.68783 6.39505 5.99397 5.45411 4.73538 3.78503 2.53132 0.877375 -1.3085 -4.21404 -8.10321 -13.3541 -20.5285 -30.4708 -44.4942 -64.6874 -94.4981 -139.854 -211.438 -329.658 -536.289 -924.628 -1727.46 -3617.3 -8973.98 -29165.4 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8541990185281998e-19 2.77934387229882e-19 3.59241647052114e-19 4.33762086652722e-19 5.0341671581587195e-19 5.68666961412156e-19 6.302225876904359e-19 6.880835946507119e-19 7.42434232605894e-19 7.933834495670939e-19 8.41043397898692e-19 8.855102081987279e-19 9.2665891068975e-19 9.64475085782052e-19 9.990724880166479e-19 1.0303902346814458e-18 1.05825368852334e-18 1.082603569006872e-18 1.1033773912433158e-18 1.120507863814044e-18 1.133922888770526e-18 1.143548765987598e-18 1.1494752173567638e-18 1.15147633597263e-18 1.14921726691869e-18 1.14166300408938e-18 1.127418051636486e-18 1.10481294150738e-18 1.071508495816422e-18 1.02459996832617e-18 9.60339867889698e-19 8.73844760126574e-19 7.5869151891109195e-19 6.06428662498902e-19 4.0556217571768797e-19 1.4057097242557499e-19 -2.0964481255889998e-19 -6.751636422741359e-19 -1.298277372239514e-18 -2.1395626988099398e-18 -3.2890283031069e-18 -4.88196037792872e-18 -7.128756758852279e-18 -1.036406407942116e-17 -1.5140264777739537e-17 -2.24070810971436e-17 -3.3876102313969195e-17 -5.28170344811172e-17 -8.592297048712259e-17 -1.481417376742152e-16 -2.76769604816964e-16 -5.7955535381682e-16 -1.4377901069983318e-15 -4.67281224012636e-15 ] } }