{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.79976 7.277147 6.953253 6.717926 6.532988 6.38062 6.251049 6.138334 6.038589 5.949135 5.868046 5.793891 5.725575 5.662248 5.603228 5.547968 5.496016 5.447 5.400605 5.356564 5.314651 5.274669 5.236448 5.19984 5.162831 5.124692 5.085354 5.044737 5.002757 4.959318 4.914315 4.867632 4.819138 4.768687 4.716114 4.661233 4.603833 4.543669 4.480464 4.413892 4.343576 4.269068 4.189837 4.105244 4.014509 3.91667 3.810521 3.694516 3.566637 3.424173 3.263363 3.078774 2.862133 2.59992 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.79976e-10 7.277147e-10 6.953253000000001e-10 6.717926e-10 6.532987999999999e-10 6.380620000000001e-10 6.251049000000001e-10 6.138334000000001e-10 6.038589e-10 5.949135e-10 5.868046e-10 5.793891e-10 5.725575000000001e-10 5.662248e-10 5.603227999999999e-10 5.547968e-10 5.496016e-10 5.447e-10 5.400604999999999e-10 5.356564e-10 5.314651e-10 5.274669000000001e-10 5.236448e-10 5.19984e-10 5.162831e-10 5.124691999999999e-10 5.085354e-10 5.044737e-10 5.002757e-10 4.959318e-10 4.914315e-10 4.867632000000001e-10 4.819138e-10 4.768687e-10 4.716114e-10 4.661233000000001e-10 4.603833e-10 4.5436690000000005e-10 4.4804639999999996e-10 4.4138919999999997e-10 4.343576e-10 4.269068e-10 4.189837e-10 4.105244e-10 4.014509e-10 3.91667e-10 3.8105210000000004e-10 3.6945160000000005e-10 3.5666370000000003e-10 3.424173e-10 3.263363e-10 3.078774e-10 2.862133e-10 2.59992e-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" [ 0.493398 0.670523 0.81954 0.978943 1.1366 1.29423 1.44779 1.59276 1.72647 1.84776 1.95644 2.0529 2.17965 2.25705 2.3199 2.37354 2.41876 2.45626 2.48668 2.51059 2.52848 2.5408 2.54794 2.55024 2.54779 2.53991 2.52575 2.50427 2.47426 2.43428 2.38262 2.31721 2.23555 2.1346 2.01065 1.85908 1.6742 1.44881 1.17382 0.837556 0.424902 -0.0840295 -0.715742 -1.50617 -2.50498 -3.78227 -5.43945 -7.62771 -10.5801 -14.6713 -20.5351 -29.3144 -43.2497 -67.2594 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.905107468623319e-20 1.0742962831595819e-19 1.31304783862836e-19 1.5684396006178618e-19 1.8210339622044e-19 2.0735850650218198e-19 2.3196153089388597e-19 2.55188285556984e-19 2.76610989330198e-19 2.96043789723984e-19 3.13456245382296e-19 3.2891084119386003e-19 3.4921843002981e-19 3.6161927717696997e-19 3.7168895732166e-19 3.80283032786436e-19 3.8752807552538395e-19 3.9353623790288397e-19 3.9841005922351195e-19 4.02240863555406e-19 4.0510715755363197e-19 4.0708103916671997e-19 4.0822499328339597e-19 4.0859349390921596e-19 4.08200960633886e-19 4.0693844544629397e-19 4.0466976333254994e-19 4.0122828792271795e-19 3.9642015584408397e-19 3.90014653661352e-19 3.81737809170108e-19 3.7125797180711402e-19 3.5817459741386994e-19 3.4200062429363994e-19 3.2214164491521e-19 2.97857453673672e-19 2.6823641206428e-19 2.32124952910554e-19 1.88066697652188e-19 1.341912652866504e-19 6.80768056139868e-20 -1.3463010146670298e-20 -1.1467451083724278e-19 -2.4131503808317797e-19 -4.01342042463732e-19 -6.05986461747918e-19 -8.7149596918113e-19 -1.222093873292814e-18 -1.6951189005383399e-18 -2.35060140504042e-18 -3.2900857396853397e-18 -4.69668467197296e-18 -6.929365876750979e-18 -1.077614390968596e-17 ] } }