{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.0055 7.469102 7.136664 6.89513 6.705313 6.548926 6.415938 6.300249 6.197873 6.10606 6.022832 5.94672 5.876603 5.811605 5.751028 5.694311 5.640989 5.59068 5.54306 5.497858 5.45484 5.413803 5.374574 5.337 5.299014 5.25987 5.219494 5.177806 5.134718 5.090134 5.043944 4.996029 4.946256 4.894474 4.840515 4.784186 4.725271 4.663521 4.598648 4.530321 4.45815 4.381676 4.300356 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0055e-10 7.469102e-10 7.136664e-10 6.895130000000001e-10 6.705313000000001e-10 6.548926e-10 6.415938e-10 6.300249e-10 6.197873000000001e-10 6.106060000000001e-10 6.022832e-10 5.94672e-10 5.876603e-10 5.811605e-10 5.751028e-10 5.694311e-10 5.640989e-10 5.59068e-10 5.54306e-10 5.497858e-10 5.45484e-10 5.413803e-10 5.374574e-10 5.337e-10 5.299014e-10 5.25987e-10 5.219494000000001e-10 5.177806e-10 5.134718e-10 5.090134e-10 5.043944e-10 4.996029e-10 4.946256e-10 4.894474e-10 4.840515e-10 4.784186000000001e-10 4.725271e-10 4.663521e-10 4.598648e-10 4.530321e-10 4.45815e-10 4.381676e-10 4.300356e-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" [ 1.35173 2.02616 2.6189 3.16216 3.66996 4.14565 4.59439 5.01621 5.41244 5.78387 6.13133 6.4555 6.75549 7.03117 7.28339 7.51172 7.71485 7.89237 8.04382 8.16871 8.26651 8.33668 8.37989 8.39448 8.37802 8.32295 8.21911 8.05433 7.81154 7.46958 7.00113 6.37058 5.53111 4.42111 2.9568 1.02498 -1.52811 -4.92176 -9.46431 -15.5972 -23.9769 -35.5897 -51.9688 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.16571022147682e-19 3.24626620874544e-19 4.1959403867826e-19 5.0663388649694395e-19 5.87992415971464e-19 6.642063562742099e-19 7.36102430548326e-19 8.03685445323714e-19 8.67168490092696e-19 9.26678136809358e-19 9.82347366134322e-19 1.0342851260787e-18 1.0823488229220659e-18 1.126517628368178e-18 1.1669277274309259e-18 1.2035102265150479e-18 1.23605524048149e-18 1.264497080088258e-18 1.2887620452101879e-18 1.308771629192214e-18 1.324440916672734e-18 1.3356833901135118e-18 1.3426063953490259e-18 1.3449439710580319e-18 1.3423067883184678e-18 1.33348360159503e-18 1.316846599427574e-18 1.290445932852522e-18 1.251546686355636e-18 1.196758654179372e-18 1.1217046897596419e-18 1.0206794421027719e-18 8.86181520208374e-19 7.083399138343739e-19 4.737315871411199e-19 1.64219900631732e-19 -2.4483021361817397e-19 -7.88552887015584e-19 -1.5163496338932539e-18 -2.49894693958248e-18 -3.84152289357546e-18 -5.70209857510698e-18 -8.32631970570192e-18 ] } }