{ "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" [ 5.45627 5.090679 4.8641 4.699479 4.570106 4.463518 4.372878 4.294028 4.224252 4.161676 4.10495 4.053075 4.005285 3.960985 3.919698 3.881041 3.844699 3.810409 3.777954 3.747146 3.717825 3.689856 3.663119 3.63751 3.620076 3.601727 3.582363 3.561864 3.540088 3.516866 3.491993 3.465215 3.436217 3.404596 3.36983 3.331224 3.287824 3.238267 3.180513 3.111303 3.024938 2.91001 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.45627e-10 5.090679e-10 4.8641e-10 4.699479000000001e-10 4.570106e-10 4.4635179999999997e-10 4.372878e-10 4.294028e-10 4.2242520000000003e-10 4.1616760000000003e-10 4.10495e-10 4.053075e-10 4.005285e-10 3.960985e-10 3.919698e-10 3.8810410000000005e-10 3.844699e-10 3.810409e-10 3.777954e-10 3.747146e-10 3.717825e-10 3.689856e-10 3.6631190000000004e-10 3.6375099999999997e-10 3.6200760000000004e-10 3.601727e-10 3.582363e-10 3.5618640000000003e-10 3.540088e-10 3.516866e-10 3.491993e-10 3.465215e-10 3.436217e-10 3.404596e-10 3.36983e-10 3.331224e-10 3.287824e-10 3.238267e-10 3.180513e-10 3.111303e-10 3.0249380000000003e-10 2.9100100000000004e-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" [ 0.886783 1.13002 1.30591 1.43216 1.52474 1.59244 1.64126 1.69071 1.76507 1.83563 1.89975 1.95802 2.01091 2.05849 2.10063 2.13712 2.16774 2.19234 2.2099 2.22324 2.23759 2.2491 2.25629 2.2587 2.25752 2.25363 2.24643 2.2352 2.21904 2.19683 2.16713 2.12807 2.07716 2.01095 1.92096 1.82268 1.71018 1.56026 1.34725 1.03085 0.538173 -0.302432 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4207830020284218e-19 1.81049163995268e-19 2.0922984881069397e-19 2.29457328814944e-19 2.4429028009251596e-19 2.5513701590469597e-19 2.6295884223188397e-19 2.7088160568701396e-19 2.8279539113743797e-19 2.94100349466942e-19 3.0437350604414997e-19 3.13709389290468e-19 3.2218330150769395e-19 3.2980645793226595e-19 3.36558030267942e-19 3.4240437280540797e-19 3.4731023765871596e-19 3.51251592178356e-19 3.5406501434766e-19 3.56202317977416e-19 3.5850144144720597e-19 3.6034554675293996e-19 3.6149751175278597e-19 3.6188363632158e-19 3.61694579478768e-19 3.6107133276814194e-19 3.59917765591662e-19 3.5811852123167995e-19 3.55529403791136e-19 3.5197096948702195e-19 3.4721250488404195e-19 3.40954402951638e-19 3.32797721707944e-19 3.221897102142299e-19 3.07771722684864e-19 2.9202553072591197e-19 2.74001043593412e-19 2.4998121149648396e-19 2.1585324701565e-19 1.6516037831589e-19 8.62248205649682e-20 -4.845494837738879e-20 ] } }