{ "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" [ 8.40987 7.846378 7.497148 7.243413 7.044009 6.879722 6.740017 6.618485 6.510938 6.414487 6.327055 6.247098 6.173439 6.105158 6.041522 5.981939 5.925924 5.873073 5.823049 5.775563 5.730372 5.687262 5.646052 5.60658 5.579708 5.551427 5.52158 5.489984 5.45642 5.420628 5.38229 5.341017 5.29632 5.247581 5.193996 5.134491 5.067597 4.991213 4.902196 4.79552 4.662403 4.48526 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.40987e-10 7.846378e-10 7.497148000000001e-10 7.243413000000001e-10 7.044009e-10 6.879722e-10 6.740017e-10 6.618485e-10 6.510938e-10 6.414487000000001e-10 6.327055e-10 6.247098e-10 6.173439000000001e-10 6.105158000000001e-10 6.041522e-10 5.981939e-10 5.925924000000001e-10 5.873073e-10 5.823049000000001e-10 5.775563e-10 5.730372000000001e-10 5.687262e-10 5.646052e-10 5.60658e-10 5.579708e-10 5.551427e-10 5.521580000000001e-10 5.489984e-10 5.45642e-10 5.420628e-10 5.38229e-10 5.341017e-10 5.29632e-10 5.247581000000001e-10 5.193996000000001e-10 5.134490999999999e-10 5.067597e-10 4.991213e-10 4.902196000000001e-10 4.79552e-10 4.662403e-10 4.48526e-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" [ 0.494686 0.683761 0.832871 0.953376 1.05413 1.14 1.21405 1.27905 1.33717 1.38819 1.43295 1.47214 1.5063 1.5361 1.56403 1.58816 1.60876 1.62606 1.64027 1.65159 1.66015 1.66612 1.66961 1.67076 1.6702 1.66838 1.66499 1.65967 1.65193 1.64256 1.63137 1.61572 1.59421 1.56486 1.52481 1.46978 1.3968 1.29299 1.13943 0.901031 0.504822 -0.235264 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.925743438370689e-20 1.0955058884148288e-19 1.334406444342317e-19 1.527476738031821e-19 1.688902441283904e-19 1.8264813477119999e-19 1.9451225264822401e-19 2.0492640068342402e-19 2.1423825120351362e-19 2.2241255632283522e-19 2.29583898877536e-19 2.358628290544512e-19 2.41335864391104e-19 2.4611035072108802e-19 2.505852300229824e-19 2.5445128220897283e-19 2.577517660478208e-19 2.605235316018048e-19 2.628002245799616e-19 2.646138885147072e-19 2.65985351702112e-19 2.6694185114472963e-19 2.6750101078538884e-19 2.6768526109678084e-19 2.67595539206016e-19 2.6730394306103043e-19 2.6676080518657923e-19 2.659084472243136e-19 2.646683625198144e-19 2.6316712302612484e-19 2.613742873874496e-19 2.588668809758976e-19 2.554205990645568e-19 2.507182106825088e-19 2.4430149331620482e-19 2.3548471537194244e-19 2.23792030393344e-19 2.0715983489281923e-19 1.825568107038144e-19 1.4436108028160448e-19 8.088140060654977e-20 -3.769344805158912e-20 ] } }