{ "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 3.65077 3.623801 3.595984 3.567263 3.537578 3.506861 3.475038 3.442027 3.407736 3.372061 3.334885 3.296077 3.255488 3.212945 3.168251 3.121176 3.071454 3.018767 2.962741 2.902923 2.838762 2.769578 2.694517 2.612487 2.52206 2.42132 2.307608 2.17708 2.023888 1.83847 ] "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 3.65077e-10 3.6238009999999997e-10 3.5959840000000004e-10 3.5672630000000003e-10 3.537578e-10 3.506861e-10 3.475038e-10 3.442027e-10 3.407736e-10 3.372061e-10 3.334885e-10 3.296077e-10 3.255488e-10 3.212945e-10 3.168251e-10 3.121176e-10 3.071454e-10 3.0187670000000003e-10 2.962741e-10 2.902923e-10 2.8387620000000004e-10 2.769578e-10 2.694517e-10 2.612487e-10 2.52206e-10 2.4213200000000004e-10 2.307608e-10 2.1770800000000003e-10 2.023888e-10 1.8384700000000002e-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 6.04841 5.80785 5.41587 4.9115 4.32791 3.71404 3.13499 2.67078 2.34187 2.08339 1.80011 1.43193 0.968982 0.259232 -0.626167 -1.07768 -0.691004 0.66315 3.18042 7.83884 15.1763 25.2225 38.4782 59.9432 98.4963 161.655 275.35 486.831 869.029 1782.31 ] "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 9.690621174851938e-19 9.3052015637769e-19 8.67718036678158e-19 7.869090537891e-19 6.93407627605494e-19 5.950548105741359e-19 5.02280772582366e-19 4.27906131055452e-19 3.75208939386558e-19 3.33795877750926e-19 2.88409418062974e-19 2.2942047875236197e-19 1.552480319166588e-19 4.15335453185088e-20 -1.003230136381878e-19 -1.7266337149291197e-19 -1.1071104628005358e-19 1.0624834348371e-19 5.09559461030628e-19 1.2559206285664559e-18 2.4315113250574196e-18 4.0410900151064994e-18 6.16488729583788e-18 9.603959440718879e-18 1.578084703954542e-17 2.5899986376926997e-17 4.411593361719e-17 7.79989252906854e-17 1.3923379580683858e-16 2.8555754365445395e-16 ] } }