{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.32255 4.96592 4.744895 4.584309 4.458107 4.354132 4.265713 4.188796 4.120731 4.059688 4.004353 3.953749 3.907131 3.863916 3.823641 3.785932 3.75048 3.717031 3.685371 3.655318 3.626717 3.599433 3.573351 3.54837 3.531363 3.513464 3.494575 3.474578 3.453336 3.430683 3.40642 3.380298 3.35201 3.321164 3.28725 3.249591 3.207254 3.158912 3.102574 3.03506 2.950812 2.8387 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.322549999999999e-10 4.96592e-10 4.744895e-10 4.584309e-10 4.458107e-10 4.354132e-10 4.265713e-10 4.1887960000000003e-10 4.120731e-10 4.059688000000001e-10 4.004353e-10 3.953749e-10 3.9071310000000005e-10 3.8639160000000004e-10 3.823641e-10 3.785932e-10 3.75048e-10 3.717031e-10 3.685371e-10 3.655318e-10 3.626717e-10 3.599433e-10 3.573351e-10 3.54837e-10 3.531363e-10 3.513464e-10 3.4945750000000003e-10 3.4745780000000003e-10 3.4533360000000005e-10 3.430683e-10 3.40642e-10 3.380298e-10 3.35201e-10 3.3211640000000003e-10 3.2872499999999997e-10 3.249591e-10 3.2072539999999997e-10 3.158912e-10 3.102574e-10 3.0350600000000004e-10 2.950812e-10 2.8386999999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.75927 2.24862 2.61621 2.89962 3.09001 3.20792 3.29873 3.38834 3.48241 3.57452 3.65413 3.71576 3.76315 3.80472 3.84401 3.88059 3.91378 3.94393 3.9715 3.99625 4.01738 4.03372 4.04413 4.04773 4.04591 4.03987 4.02874 4.01179 3.98869 3.96011 3.92845 3.89814 3.87361 3.84963 3.78434 3.52177 2.56264 -0.647738 -11.1251 -46.6415 -181.094 -819.505 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.818661263674816e-19 3.602686393063296e-19 4.1916304971031686e-19 4.645703373204096e-19 4.950741780038208e-19 5.139654425396737e-19 5.285148084331584e-19 5.4287191313214725e-19 5.579435886040128e-19 5.727012374582017e-19 5.854561655363904e-19 5.9533038005038085e-19 6.02923095056352e-19 6.095833432690177e-19 6.158782952121408e-19 6.2173905729102725e-19 6.270566814954624e-19 6.318872440071745e-19 6.3630444495072e-19 6.402698320872e-19 6.436552312869505e-19 6.462731878853376e-19 6.479410537475904e-19 6.485178373310784e-19 6.482262411860929e-19 6.472585265071296e-19 6.454753039281792e-19 6.427596145559233e-19 6.390585865618752e-19 6.344795657796288e-19 6.294070745981761e-19 6.245508772605312e-19 6.206207380097088e-19 6.167787184730304e-19 6.063181073158272e-19 5.642497557834817e-19 4.1058018955269123e-19 -1.0377906800037505e-19 -1.782437512406208e-18 -7.472792085904321e-18 -2.901445729671552e-17 -1.312991751628704e-16 ] } }