{ "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" [ 8.87592 8.281201 7.912617 7.644822 7.434367 7.260976 7.113528 6.985261 6.871754 6.769958 6.677681 6.593294 6.515553 6.443488 6.376325 6.31344 6.254321 6.198542 6.145745 6.095628 6.047932 6.002434 5.958939 5.91728 5.875164 5.831764 5.786998 5.740777 5.693005 5.643572 5.59236 5.539236 5.484051 5.426639 5.366813 5.30436 5.239039 5.170575 5.098649 5.022892 4.942874 4.858086 4.767924 4.671659 4.568405 4.457067 4.336272 4.204261 4.058739 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.87592e-10 8.281201e-10 7.912617e-10 7.644822e-10 7.434367000000001e-10 7.260976000000001e-10 7.113528e-10 6.985261000000001e-10 6.871754000000001e-10 6.769958e-10 6.677681e-10 6.593294000000001e-10 6.515553e-10 6.443488000000001e-10 6.376325e-10 6.31344e-10 6.254321e-10 6.198542e-10 6.145745e-10 6.095628e-10 6.047932e-10 6.002434e-10 5.958939e-10 5.91728e-10 5.875164e-10 5.831764e-10 5.786998e-10 5.740776999999999e-10 5.693005e-10 5.643572e-10 5.59236e-10 5.539236e-10 5.484051000000001e-10 5.426639e-10 5.366813e-10 5.30436e-10 5.239039e-10 5.170575000000001e-10 5.098649e-10 5.022892e-10 4.942874e-10 4.858086000000001e-10 4.767924e-10 4.671659e-10 4.5684050000000005e-10 4.4570670000000004e-10 4.336272e-10 4.204261e-10 4.058739e-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" [ 0.876073 2.0155 2.67197 3.11215 3.44663 3.72047 3.95343 4.155 4.33051 4.4835 4.61659 4.73194 4.83136 4.91643 4.98856 5.04902 5.09898 5.13948 5.17153 5.19602 5.2138 5.22566 5.2323 5.23439 5.23229 5.22576 5.21448 5.19804 5.17595 5.14749 5.11178 5.06767 5.01338 4.94341 4.84878 4.71731 4.53359 4.2811 3.94178 3.49343 2.90846 2.1507 1.17027 -0.104621 -1.78003 -4.01204 -7.02956 -11.1831 -17.0412 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.403623690278282e-19 3.2291870058269994e-19 4.2809679007489796e-19 4.9862140115031e-19 5.522110052043419e-19 5.96085010149798e-19 6.33409317015462e-19 6.65704391427e-19 6.93824193530334e-19 7.183358938539e-19 7.39659262675806e-19 7.581403701489959e-19 7.740692102442239e-19 7.876989268696619e-19 7.992554269307039e-19 8.089421868598679e-19 8.16946661323332e-19 8.23435476691032e-19 8.285704528030019e-19 8.324941833796679e-19 8.3534285343492e-19 8.37243034922844e-19 8.3830688020782e-19 8.38641735124326e-19 8.383052780311859e-19 8.37259056689184e-19 8.354518014460319e-19 8.328178230597359e-19 8.2927861487523e-19 8.24718820174866e-19 8.189974474148521e-19 8.119302462822779e-19 8.032320293362919e-19 7.920215994281939e-19 7.768602019406519e-19 7.55796385733454e-19 7.26361196613606e-19 6.8590783878174e-19 6.31542781236852e-19 5.597091918514619e-19 4.659866652923639e-19 3.4458012867438e-19 1.8749792494711797e-19 -1.67621321625714e-20 -2.8519224738190197e-19 -6.42799674267336e-19 -1.1262596779301039e-18 -1.79173015156854e-18 -2.73030124553208e-18 ] } }