{ "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" [ "Pu" "Pu" "Pu" "Pu" ] } "a" { "source-value" [ 7.71522 7.198272 6.877888 6.645112 6.462178 6.311462 6.183295 6.071802 5.973138 5.884654 5.804444 5.731092 5.663517 5.600876 5.542496 5.487834 5.436446 5.387961 5.342069 5.298506 5.257047 5.217498 5.179692 5.14348 5.106872 5.069147 5.030235 4.990058 4.948533 4.905565 4.86105 4.814873 4.766904 4.717 4.664997 4.610711 4.553933 4.494421 4.431901 4.366051 4.296497 4.222797 4.144424 4.060748 3.970996 3.874218 3.769219 3.654472 3.527979 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.715220000000001e-10 7.198272e-10 6.877888e-10 6.645112000000001e-10 6.462178e-10 6.311462e-10 6.183295e-10 6.071802e-10 5.973137999999999e-10 5.884654e-10 5.804444000000001e-10 5.731092000000001e-10 5.663517e-10 5.600876e-10 5.542496e-10 5.487834000000001e-10 5.436446e-10 5.387961e-10 5.342069000000001e-10 5.298506e-10 5.257047e-10 5.217498e-10 5.179692000000001e-10 5.143480000000001e-10 5.106872000000001e-10 5.069147e-10 5.030235000000001e-10 4.990058e-10 4.948533e-10 4.905565e-10 4.861049999999999e-10 4.814873e-10 4.766904000000001e-10 4.716999999999999e-10 4.664997e-10 4.6107110000000003e-10 4.553933e-10 4.494421e-10 4.4319010000000003e-10 4.366051e-10 4.2964969999999997e-10 4.222797e-10 4.144424e-10 4.0607480000000006e-10 3.9709960000000003e-10 3.874218e-10 3.769219e-10 3.6544720000000005e-10 3.527979e-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" [ 0.633995 0.947316 1.22458 1.47831 1.71404 1.93458 2.14246 2.33808 2.52185 2.69457 2.85608 3.00639 3.14561 3.27384 3.39072 3.4961 3.58983 3.67197 3.74204 3.79979 3.84501 3.87761 3.8977 3.90446 3.89684 3.87133 3.82323 3.74655 3.63369 3.47486 3.25745 2.96549 2.57676 2.06247 1.38415 0.489179 -0.694342 -2.26677 -4.3713 -7.21374 -11.0977 -16.4809 -24.0726 -35.0026 -51.1373 -75.6838 -114.426 -178.403 -290.221 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0157719750728299e-19 1.5177675602143439e-19 1.96199346246372e-19 2.36851373980854e-19 2.7461948377413597e-19 3.0995388726037197e-19 3.4325993512796396e-19 3.74601714442272e-19 4.0404491444529e-19 4.31717709267738e-19 4.57594464083472e-19 4.81676781069126e-19 5.03982284167674e-19 5.245269951454559e-19 5.432532356436479e-19 5.6013697301274e-19 5.751541746032219e-19 5.883144534748979e-19 5.995409051493359e-19 6.087934752106859e-19 6.16038517949634e-19 6.212616137764739e-19 6.244803866341799e-19 6.255634580387639e-19 6.2434259944365595e-19 6.20255446850322e-19 6.12548977240782e-19 6.0026348681127e-19 5.82181321319946e-19 5.56733949842124e-19 5.219010276423299e-19 4.75123878636066e-19 4.12842466342584e-19 3.3044412423259797e-19 2.2176527879510998e-19 7.837511636434859e-20 -1.1124585284048279e-19 -3.63176592865218e-19 -7.003594720204199e-19 -1.1557685671751159e-18 -1.77804756311418e-18 -2.6405312887290596e-18 -3.85685572396284e-18 -5.60803478492484e-18 -8.19309871858482e-18 -1.212588159323292e-17 -1.83330663522084e-17 -2.8583311803550195e-17 -4.64985304896114e-17 ] } }