{ "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" [ 0.616634 1.03494 1.39001 1.70008 1.97476 2.2201 2.44026 2.63832 2.81665 2.97712 3.12127 3.25029 3.3655 3.46762 3.55748 3.63581 3.70323 3.76029 3.80749 3.84529 3.87408 3.89424 3.90611 3.91 3.9081 3.90184 3.89017 3.87177 3.84493 3.80743 3.75629 3.6875 3.59556 3.47267 3.30756 3.08335 2.7738 2.33591 1.69477 0.708246 -0.927192 -3.98737 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.879565783903873e-20 1.658156671930752e-19 2.227041524678208e-19 2.7238284294896644e-19 3.1639143036910085e-19 3.55699231583808e-19 3.909727520673408e-19 4.227054622189057e-19 4.51277077897632e-19 4.769872061316096e-19 5.000825821204416e-19 5.207538648820032e-19 5.3921254173024e-19 5.555739693818497e-19 5.699711284963584e-19 5.825209779670849e-19 5.933228527445184e-19 6.024648725428032e-19 6.100271461929792e-19 6.160833738196032e-19 6.206960403108865e-19 6.239260283784193e-19 6.258278120273089e-19 6.2645105873280005e-19 6.261466451748481e-19 6.251436826102272e-19 6.232739424937536e-19 6.203259375114817e-19 6.160256954612545e-19 6.100175331332544e-19 6.018240018944832e-19 5.9080262892e-19 5.760722170683648e-19 5.563830685753536e-19 5.299295303893249e-19 4.94007128374368e-19 4.44411751077504e-19 3.7425403902929284e-19 2.7153208716332165e-19 1.134735182975117e-19 -1.4855253453927937e-19 -6.388470992479296e-19 ] } }