{ "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" [ 5.83554 5.444537 5.202209 5.026145 4.88778 4.773783 4.676842 4.592512 4.517886 4.45096 4.390291 4.33481 4.283699 4.236319 4.192162 4.150818 4.11195 4.075278 4.040566 4.007616 3.976258 3.946345 3.917749 3.89036 3.871714 3.85209 3.83138 3.809455 3.786166 3.76133 3.734728 3.706089 3.675075 3.641255 3.604073 3.562784 3.516367 3.463365 3.401596 3.327575 3.235207 3.11229 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.83554e-10 5.444537000000001e-10 5.202209e-10 5.026145e-10 4.88778e-10 4.773783e-10 4.676842e-10 4.592512e-10 4.517886e-10 4.4509600000000006e-10 4.3902910000000006e-10 4.3348100000000005e-10 4.2836990000000006e-10 4.236319e-10 4.192162e-10 4.1508180000000003e-10 4.1119500000000005e-10 4.075278e-10 4.040566e-10 4.0076159999999996e-10 3.976258e-10 3.946345e-10 3.9177490000000004e-10 3.89036e-10 3.871714e-10 3.85209e-10 3.83138e-10 3.809455e-10 3.7861660000000003e-10 3.76133e-10 3.734728e-10 3.706089e-10 3.6750750000000004e-10 3.6412550000000003e-10 3.604073e-10 3.5627840000000004e-10 3.5163669999999997e-10 3.4633650000000004e-10 3.401596e-10 3.3275750000000003e-10 3.235207e-10 3.11229e-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" [ 0.77951 1.19264 1.51701 1.80072 2.06268 2.30515 2.52463 2.7198 2.89236 3.04492 3.17991 3.29934 3.40484 3.49782 3.57947 3.65082 3.7127 3.76574 3.81033 3.8466 3.87457 3.89436 3.90611 3.90999 3.90811 3.90188 3.89036 3.87238 3.84657 3.81006 3.7592 3.68989 3.59659 3.47161 3.30398 3.07731 2.76613 2.32833 1.68924 0.703681 -0.944955 -4.08069 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2489126976798082e-19 1.910819925030912e-19 2.4305179555198083e-19 2.8850714846069764e-19 3.304777672191744e-19 3.69325743743712e-19 4.0449031621703045e-19 4.35759997325184e-19 4.634071570937088e-19 4.878499636206336e-19 5.094777458248128e-19 5.286125412070272e-19 5.455155045564673e-19 5.604125427766656e-19 5.734943148854976e-19 5.849258450749057e-19 5.94840114004416e-19 6.033380588011393e-19 6.104821643532864e-19 6.16293258956928e-19 6.207745469653056e-19 6.239452544978688e-19 6.258278120273089e-19 6.2644945655617925e-19 6.261482473514689e-19 6.251500913167104e-19 6.233043838495488e-19 6.204236702853505e-19 6.162884524270656e-19 6.104389055845248e-19 6.02290235291136e-19 5.911855491323712e-19 5.762372412603073e-19 5.562132378535488e-19 5.293559511590784e-19 4.930394136954049e-19 4.431828816093504e-19 3.730395891507264e-19 2.706460834920192e-19 1.127421246701165e-19 -1.513984808708064e-19 -6.537986114732352e-19 ] } }