{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 9.11034 8.499914 8.121596 7.846728 7.630714 7.452744 7.301402 7.169747 7.053243 6.948758 6.854044 6.767428 6.687634 6.613665 6.544729 6.480183 6.419502 6.36225 6.308059 6.256618 6.207663 6.160963 6.11632 6.07356 6.030332 5.985785 5.939837 5.892396 5.843361 5.792623 5.740059 5.685532 5.628889 5.569961 5.508554 5.444452 5.377406 5.307134 5.233308 5.155551 5.073419 4.986392 4.893848 4.795041 4.68906 4.574782 4.450796 4.315299 4.165933 3.999531 3.8117 3.596095 3.343052 3.03678 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.110340000000001e-10 8.499914000000001e-10 8.121596000000001e-10 7.846728e-10 7.630714000000001e-10 7.452744e-10 7.301402000000001e-10 7.169747e-10 7.053243e-10 6.948758e-10 6.854044e-10 6.767428e-10 6.687634e-10 6.613665000000001e-10 6.544729e-10 6.480183000000001e-10 6.419502e-10 6.36225e-10 6.308059000000001e-10 6.256617999999999e-10 6.207663000000001e-10 6.160963e-10 6.11632e-10 6.07356e-10 6.030332e-10 5.985785000000001e-10 5.939837e-10 5.892396e-10 5.843361e-10 5.792623e-10 5.740059e-10 5.685532000000001e-10 5.628889000000001e-10 5.569961e-10 5.508554000000001e-10 5.444452e-10 5.377406e-10 5.307134e-10 5.233308e-10 5.155551e-10 5.073419e-10 4.986392000000001e-10 4.893848e-10 4.795041e-10 4.68906e-10 4.574782e-10 4.4507960000000006e-10 4.315299000000001e-10 4.165933e-10 3.9995310000000006e-10 3.8117000000000004e-10 3.596095e-10 3.3430520000000003e-10 3.03678e-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" [ 0.100705 0.302138 0.477785 0.63156 0.769249 0.894634 1.01027 1.11793 1.21894 1.31418 1.40224 1.48073 1.54856 1.60543 1.65183 1.68935 1.71945 1.74328 1.76179 1.77576 1.78581 1.79248 1.79621 1.79738 1.79619 1.79249 1.78605 1.77668 1.76421 1.74852 1.72957 1.70747 1.68236 1.65427 1.62182 1.58294 1.53524 1.47574 1.40066 1.30521 1.18325 1.02712 0.827892 0.575762 0.259062 -0.13728 -0.633982 -1.26345 -2.10682 -3.5104 -6.22368 -12.1471 -29.3342 -104.919 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6134719792696998e-20 4.84078443843492e-20 7.6549596307569e-20 1.01187067496904e-19 1.2324727735278658e-19 1.433361690781956e-19 1.61863098803118e-19 1.79112132444762e-19 1.9529571862479597e-19 2.1055484888701197e-19 2.2466361632601596e-19 2.37239100726282e-19 2.4810666483470396e-19 2.57218243352262e-19 2.64652342934022e-19 2.7066370966478995e-19 2.7548626133312996e-19 2.7930424825195195e-19 2.82269877201486e-19 2.84508117959184e-19 2.8611830547635394e-19 2.87186957291232e-19 2.87784569175714e-19 2.87972023841892e-19 2.87781364822446e-19 2.8718855946786597e-19 2.8615675771556997e-19 2.84655518209512e-19 2.82657603946914e-19 2.8014378880816797e-19 2.77107664086738e-19 2.73566853725598e-19 2.69543788197624e-19 2.6504327403271798e-19 2.59844210855388e-19 2.53614948102396e-19 2.4597256555821598e-19 2.36439614585916e-19 2.24410472417844e-19 2.0911769644631398e-19 1.8957755021804997e-19 1.64562766431408e-19 1.3264292178755278e-19 9.22472423145108e-20 4.15063083157308e-20 -2.1994680831552e-20 -1.015751146776588e-19 -2.0242700682272998e-19 -3.3754977760438795e-19 -5.6242808559936e-19 -9.97143467349312e-19 -1.9461799790861398e-18 -4.6998569817082794e-18 -1.68098770262646e-17 ] } }