{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 5.51541 5.145857 4.916823 4.750418 4.619643 4.5119 4.420277 4.340573 4.270041 4.206786 4.149446 4.097008 4.048701 4.00392 3.962186 3.92311 3.886374 3.851713 3.818906 3.787764 3.758126 3.729854 3.702827 3.67694 3.659317 3.640769 3.621195 3.600473 3.578461 3.554988 3.529845 3.502777 3.473464 3.4415 3.406357 3.367332 3.323461 3.273367 3.214987 3.145026 3.057725 2.94155 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51541e-10 5.145857000000001e-10 4.916823e-10 4.750418e-10 4.619643e-10 4.5119e-10 4.4202769999999996e-10 4.340573e-10 4.270041e-10 4.206786e-10 4.1494460000000004e-10 4.097008e-10 4.0487010000000005e-10 4.00392e-10 3.962186e-10 3.92311e-10 3.886374e-10 3.8517130000000003e-10 3.8189060000000005e-10 3.7877640000000005e-10 3.758126e-10 3.729854e-10 3.702827e-10 3.6769400000000003e-10 3.659317e-10 3.6407690000000004e-10 3.6211950000000003e-10 3.6004730000000003e-10 3.578461e-10 3.554988e-10 3.529845e-10 3.502777e-10 3.473464e-10 3.4415e-10 3.406357e-10 3.367332e-10 3.323461e-10 3.273367e-10 3.214987e-10 3.145026e-10 3.057725e-10 2.94155e-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" [ 3.26446 1.25567 1.24359 0.697335 0.927971 1.18721 1.45236 1.67697 1.88509 2.24386 2.65995 3.06117 3.41098 3.72444 4.01859 4.29894 4.56703 4.81963 5.05415 5.33771 5.63009 5.88436 6.06041 6.12517 6.09055 5.97785 5.77643 5.48652 5.11776 4.67496 4.17195 3.63499 3.10914 2.66471 2.33089 2.05034 1.69348 1.19691 0.297636 -0.944586 -0.425971 4.56683 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.23024153462764e-19 2.01180513401478e-19 1.9924508402760597e-19 1.11725384307039e-19 1.4867734532296138e-19 1.90212012165114e-19 2.32693725615624e-19 2.68680214991898e-19 3.0202471509870595e-19 3.59506006196724e-19 4.2617097376082994e-19 4.90453504670178e-19 5.46499245504132e-19 5.967210742734959e-19 6.438490999626059e-19 6.88766121896796e-19 7.317188752777019e-19 7.721898570525419e-19 8.0976410347311e-19 8.55195424106814e-19 9.020398645317059e-19 9.42778409804424e-19 9.70984729445994e-19 9.813604253277778e-19 9.7581368982087e-19 9.5775715915569e-19 9.25486117393662e-19 8.790374145973679e-19 8.199555490419838e-19 7.490111676884639e-19 6.684200808216299e-19 5.82389604282366e-19 4.981391459834759e-19 4.2693360983861395e-19 3.73449749442426e-19 3.2850068397555593e-19 2.71325408614632e-19 1.9176612350009398e-19 4.76865444637224e-20 -1.513393618003524e-19 -6.824807829616139e-20 7.316868317450221e-19 ] } }