{ "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" [ "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 5.41998 5.056821 4.83175 4.668224 4.539712 4.433833 4.343795 4.265471 4.196159 4.133998 4.07765 4.02612 3.978649 3.934643 3.89363 3.855231 3.81913 3.785069 3.752829 3.722226 3.693101 3.665318 3.638759 3.61332 3.596002 3.577775 3.55854 3.538177 3.516546 3.493479 3.468771 3.442172 3.413366 3.381955 3.347421 3.309072 3.26596 3.216733 3.159364 3.090614 3.004824 2.89066 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41998e-10 5.056821e-10 4.83175e-10 4.668224000000001e-10 4.539712e-10 4.433833e-10 4.343795e-10 4.265471e-10 4.196159e-10 4.1339980000000003e-10 4.0776500000000004e-10 4.02612e-10 3.978649e-10 3.934643e-10 3.89363e-10 3.855231e-10 3.81913e-10 3.785069e-10 3.752829e-10 3.7222260000000004e-10 3.693101e-10 3.6653180000000003e-10 3.6387589999999997e-10 3.61332e-10 3.596002e-10 3.577775e-10 3.55854e-10 3.538177e-10 3.516546e-10 3.493479e-10 3.468771e-10 3.442172e-10 3.413366e-10 3.381955e-10 3.347421e-10 3.3090720000000004e-10 3.26596e-10 3.216733e-10 3.1593640000000004e-10 3.090614e-10 3.004824e-10 2.8906600000000003e-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" [ 0.819968 1.18087 1.47161 1.72031 1.93904 2.13436 2.31026 2.46944 2.61381 2.74477 2.86343 2.97065 3.06714 3.15347 3.23015 3.29758 3.35613 3.40611 3.44781 3.48148 3.50734 3.52559 3.53642 3.54 3.53824 3.53241 3.52148 3.50415 3.47869 3.44285 3.3936 3.32677 3.23659 3.11477 2.94918 2.72133 2.40196 1.94222 1.25505 0.170887 -1.684 -5.30441 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.313733570227712e-19 1.89196232179158e-19 2.35777915636074e-19 2.75624048523654e-19 3.10668458039136e-19 3.4196217205442396e-19 3.70144459046484e-19 3.95647906706496e-19 4.1877853077155396e-19 4.397606359704179e-19 4.58772063909462e-19 4.759506017792099e-19 4.91410004120676e-19 5.052415950019979e-19 5.1752708543151e-19 5.28330562474572e-19 5.37711306666642e-19 5.45718985483374e-19 5.52400062047154e-19 5.57794590773832e-19 5.61937819549356e-19 5.648617919064059e-19 5.66596949201028e-19 5.67170528436e-19 5.66888545348416e-19 5.65954476370794e-19 5.64203297309832e-19 5.6142672520311e-19 5.573475834929459e-19 5.5160538243669e-19 5.4371466251424e-19 5.330073160692179e-19 5.18558887183806e-19 4.99041171428418e-19 4.72510728546012e-19 4.36005133940322e-19 3.8483641878026393e-19 3.11177950208748e-19 2.0108117845017e-19 2.73791158454358e-20 -2.6980654516559996e-19 -8.49860175915594e-19 ] } }