{ "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" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" ] } "a" { "source-value" [ 12.8088 11.950559 11.418656 11.032199 10.728492 10.478271 10.265489 10.080386 9.916584 9.769682 9.636517 9.514737 9.402549 9.298551 9.201629 9.110879 9.025564 8.945069 8.868878 8.796554 8.727724 8.662065 8.599299 8.53918 8.478403 8.415772 8.351171 8.28447 8.21553 8.144195 8.070291 7.993628 7.913991 7.83114 7.744805 7.65468 7.560416 7.461616 7.35782 7.248496 7.133023 7.010666 6.880553 6.741634 6.592629 6.431958 6.257639 6.067136 5.857133 5.623179 5.359096 5.055965 4.700196 4.26959 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.28088e-09 1.1950559000000001e-09 1.1418656000000002e-09 1.1032199e-09 1.0728492e-09 1.0478271e-09 1.0265489e-09 1.0080386000000001e-09 9.916584e-10 9.769682e-10 9.636517e-10 9.514737e-10 9.402549e-10 9.298551e-10 9.201629e-10 9.110879000000001e-10 9.025563999999999e-10 8.945069000000001e-10 8.868878e-10 8.796554000000001e-10 8.727724e-10 8.662065000000001e-10 8.599299e-10 8.539180000000001e-10 8.478403e-10 8.415772e-10 8.351171000000001e-10 8.284470000000001e-10 8.215529999999999e-10 8.144195e-10 8.070291e-10 7.993628000000001e-10 7.913991e-10 7.83114e-10 7.744805000000001e-10 7.65468e-10 7.560416e-10 7.461616e-10 7.35782e-10 7.248496e-10 7.133023e-10 7.010666e-10 6.880553000000001e-10 6.741634e-10 6.592629e-10 6.431958e-10 6.257639e-10 6.067136e-10 5.857133000000001e-10 5.623179e-10 5.359096e-10 5.055965e-10 4.700196e-10 4.2695900000000003e-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" [ 0.345246 0.517505 0.6689 0.807657 0.937356 1.05885 1.17347 1.28121 1.38241 1.47728 1.56603 1.64882 1.72545 1.79586 1.86028 1.9186 1.97048 2.01582 2.05451 2.08641 2.11139 2.12931 2.14034 2.14407 2.13986 2.1258 2.09928 2.05719 1.99517 1.90783 1.78818 1.62713 1.41271 1.1292 0.755182 0.26177 -0.390335 -1.25713 -2.41737 -3.98383 -6.12414 -9.09019 -13.2737 -19.2979 -28.1912 -41.7223 -63.0776 -98.3458 -159.989 -275.841 -515.349 -1079.14 -2677.18 -8700.81 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.53145074181964e-20 8.291344189781699e-20 1.0716959504826e-19 1.2940091736865379e-19 1.5018098809397038e-19 1.6964647289109e-19 1.8801062146999798e-19 2.0527247252471398e-19 2.21486500060794e-19 2.36686349787552e-19 2.50905667414302e-19 2.6417008776718796e-19 2.7644756731353e-19 2.87728492993524e-19 2.9804971486975197e-19 3.0739360899924e-19 3.15705701376432e-19 3.22969970234988e-19 3.2916879163193397e-19 3.3427973509439393e-19 3.38281972326126e-19 3.4115307285425396e-19 3.42920273681556e-19 3.43517885566038e-19 3.42843369203124e-19 3.4059070885571994e-19 3.3634173642235194e-19 3.2959817496984593e-19 3.19661475485778e-19 3.05668064764422e-19 2.86498021338612e-19 2.6069496664804197e-19 2.2634109526181395e-19 1.8091778551128e-19 1.209934954817388e-19 4.1940177748218e-20 -6.2538561643239e-20 -2.01414431190042e-19 -3.87305372973258e-19 -6.38279933982822e-19 -9.811954011344758e-19 -1.4564090016620458e-18 -2.12668119867258e-18 -3.0918644465268595e-18 -4.5167281924420795e-18 -6.684649417673819e-18 -1.0106145684879838e-17 -1.575673428120372e-17 -2.56330637497026e-17 -4.41946004899194e-17 -8.25680126155266e-17 -1.72897289281476e-16 -4.2893152410121194e-16 -1.3940234478873539e-15 ] } }