{ "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" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 7.48375 6.982312 6.67154 6.445748 6.268303 6.122109 5.997788 5.889639 5.793936 5.708107 5.630303 5.559152 5.493604 5.432842 5.376214 5.323193 5.273346 5.226316 5.1818 5.139544 5.099329 5.060967 5.024295 4.98917 4.965258 4.940091 4.913531 4.885414 4.855547 4.823697 4.789581 4.752853 4.713079 4.669708 4.622023 4.569072 4.509545 4.441573 4.362359 4.267431 4.148974 3.99134 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.48375e-10 6.982312e-10 6.671540000000001e-10 6.445748000000001e-10 6.268303000000001e-10 6.122109e-10 5.997788e-10 5.889639e-10 5.793936e-10 5.708107e-10 5.630303e-10 5.559152e-10 5.493604000000001e-10 5.432842e-10 5.376214e-10 5.323193e-10 5.273346e-10 5.226316e-10 5.181800000000001e-10 5.139544e-10 5.099329e-10 5.060967e-10 5.024295e-10 4.989169999999999e-10 4.965258e-10 4.940091e-10 4.913531e-10 4.885414e-10 4.855547e-10 4.823697000000001e-10 4.789581e-10 4.752853e-10 4.713079e-10 4.669708e-10 4.622023000000001e-10 4.5690720000000007e-10 4.509545e-10 4.441573e-10 4.3623589999999997e-10 4.267431e-10 4.1489740000000003e-10 3.9913400000000003e-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" [ 0.872826 1.04083 1.13808 1.21628 1.29526 1.37327 1.44827 1.51436 1.57086 1.62387 1.67269 1.71803 1.76039 1.8 1.83538 1.86792 1.8987 1.92737 1.95386 1.9781 1.99985 2.01874 2.03444 2.04146 2.04021 2.03984 2.03775 2.03273 2.02391 2.01017 1.99 1.9613 1.92118 1.86488 1.78564 1.67562 1.5196 1.29348 0.940814 0.388252 -0.555336 -2.39561 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.398421422747684e-19 1.6675935059662198e-19 1.8234051836227198e-19 1.94869539640152e-19 2.07523530695484e-19 2.20022110617318e-19 2.3203843537231798e-19 2.4262722074642395e-19 2.5167951872852396e-19 2.60172657065358e-19 2.6799448339254597e-19 2.75258752251102e-19 2.8204557247272595e-19 2.8839179412e-19 2.94060295051092e-19 2.99273777818128e-19 3.0420527749758e-19 3.0879871790725797e-19 3.1304288381072395e-19 3.1692655997154e-19 3.2041129415049e-19 3.23437805812116e-19 3.2595322312749596e-19 3.2707795112456394e-19 3.26877679045314e-19 3.2681839850985596e-19 3.2648354359334997e-19 3.2567925092308195e-19 3.2426613113189396e-19 3.22064740436778e-19 3.18833150166e-19 3.1423490322641997e-19 3.07806970570812e-19 2.98786716121392e-19 2.8609106847357597e-19 2.68463921146308e-19 2.4346676130264e-19 2.0723834325463197e-19 1.507350207740076e-19 6.22048282503768e-20 -8.89746363219024e-20 -3.8381903661767396e-19 ] } }