{ "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 6.04445 6.013814 5.981481 5.947253 5.910894 5.872121 5.83059 5.785879 5.73746 5.684662 5.626613 5.562153 5.489688 5.406942 5.31051 5.19495 5.050746 4.85885 ] "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 6.044450000000001e-10 6.013814e-10 5.981481e-10 5.947253e-10 5.910894e-10 5.872121e-10 5.83059e-10 5.785879e-10 5.73746e-10 5.684662e-10 5.626613e-10 5.562153e-10 5.489688e-10 5.406942e-10 5.31051e-10 5.194950000000001e-10 5.050746e-10 4.85885e-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 1.79684 1.79511 1.792 1.78727 1.78066 1.77185 1.76052 1.74623 1.72857 1.7071 1.68131 1.65035 1.61097 1.55724 1.47885 1.35584 1.14536 0.743291 ] "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 2.87885506303656e-19 2.87608329745974e-19 2.8711005281279997e-19 2.86352223264918e-19 2.8529318450984396e-19 2.8388166689528997e-19 2.82066400768968e-19 2.7977689035898197e-19 2.7694744642333797e-19 2.7350757319014e-19 2.69375559651054e-19 2.6441522079218996e-19 2.58105849207498e-19 2.49497354153016e-19 2.3693789151909e-19 2.1722951674425597e-19 1.8350690295182398e-19 1.190883472462494e-19 ] } }