{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.91124 7.381158 7.052634 6.813944 6.626362 6.471816 6.340394 6.226068 6.124897 6.034165 5.951917 5.876701 5.80741 5.743177 5.683313 5.627263 5.57457 5.524853 5.477794 5.433124 5.390612 5.350059 5.311292 5.27416 5.236622 5.197938 5.158037 5.11684 5.07426 5.0302 4.984554 4.937204 4.888017 4.836845 4.78352 4.727855 4.669634 4.608611 4.544502 4.476979 4.405658 4.330085 4.249722 4.163919 4.071887 3.97265 3.864984 3.747321 3.617614 3.473114 3.310005 3.122778 2.903041 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.911240000000001e-10 7.381158e-10 7.052634000000001e-10 6.813944e-10 6.626362e-10 6.471816e-10 6.340394e-10 6.226068e-10 6.124897e-10 6.034165e-10 5.951917e-10 5.876701e-10 5.80741e-10 5.743177e-10 5.683313e-10 5.627263e-10 5.574569999999999e-10 5.524853000000001e-10 5.477794000000001e-10 5.433124e-10 5.390612e-10 5.350059e-10 5.311292000000001e-10 5.27416e-10 5.236622e-10 5.197938e-10 5.158037000000001e-10 5.11684e-10 5.07426e-10 5.0302e-10 4.984554e-10 4.937204000000001e-10 4.888016999999999e-10 4.836845e-10 4.78352e-10 4.727855e-10 4.669634000000001e-10 4.608611e-10 4.544502e-10 4.476979e-10 4.405658e-10 4.330085000000001e-10 4.2497220000000006e-10 4.1639190000000003e-10 4.071887e-10 3.9726499999999997e-10 3.864984e-10 3.747321e-10 3.6176140000000003e-10 3.473114e-10 3.310005e-10 3.122778e-10 2.903041e-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" [ 1.40221 1.73825 1.95009 2.11839 2.25829 2.37572 2.4719 2.54859 2.60853 2.65517 2.69159 2.72037 2.74383 2.76398 2.78223 2.79894 2.81396 2.82699 2.83782 2.84638 2.85277 2.85716 2.85972 2.86055 2.85965 2.85675 2.85145 2.84329 2.83171 2.81601 2.79539 2.76901 2.73615 2.69635 2.64913 2.5897 2.50195 2.35909 2.1416 1.79958 1.24401 0.398566 -0.72033 -2.20231 -4.1954 -6.96126 -11.0125 -17.5087 -29.3458 -54.4731 -117.984 -311.621 -1046.03 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.24658809796114e-19 2.7849835340505e-19 3.12438863219706e-19 3.39403495969926e-19 3.61817947079586e-19 3.8063230729264793e-19 3.9604204215846002e-19 4.0832913476460595e-19 4.1793258150880197e-19 4.25405133329778e-19 4.31240260630806e-19 4.35851324983458e-19 4.396100313668219e-19 4.42838417284332e-19 4.45762389641382e-19 4.484396267967959e-19 4.50846096101064e-19 4.52933732255166e-19 4.5466888954978795e-19 4.56040352748492e-19 4.57064143617618e-19 4.57767499159944e-19 4.581776563782479e-19 4.583106370388699e-19 4.581664411418099e-19 4.5770180991795e-19 4.568526563019299e-19 4.55545280168586e-19 4.53689959626414e-19 4.51174542311034e-19 4.47870854091726e-19 4.43644312131234e-19 4.3837955971191e-19 4.3200289670858996e-19 4.2443741864284195e-19 4.1491568290698e-19 4.0085658294363e-19 3.77967887550306e-19 3.4312214793744e-19 2.8832450270137195e-19 1.99312375446234e-19 6.385731323068439e-20 -1.1540958947692199e-19 -3.52848962282454e-19 -6.7217718502836e-19 -1.115316811519884e-18 -1.7643970181925e-18 -2.80520300317158e-18 -4.70171550660372e-18 -8.72755280015454e-18 -1.89031207985856e-17 -4.9927188486371393e-17 -1.67592482446302e-16 ] } }