{ "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 6.21035 5.794233 5.53634 5.348967 5.201715 5.080396 4.977229 4.887482 4.808063 4.736837 4.672272 4.613228 4.558833 4.50841 4.461417 4.417418 4.376053 4.337025 4.300084 4.265018 4.231645 4.199811 4.169378 4.14023 4.110762 4.080396 4.049073 4.016733 3.983308 3.94872 3.912888 3.875718 3.837106 3.796935 3.755076 3.711378 3.665674 3.617771 3.567445 3.514439 3.458452 3.399127 3.336041 3.268686 3.19644 3.118539 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.21035e-10 5.794233000000001e-10 5.53634e-10 5.348967000000001e-10 5.201715e-10 5.080396e-10 4.977229e-10 4.887482e-10 4.808063e-10 4.736837000000001e-10 4.672272000000001e-10 4.6132280000000003e-10 4.558833e-10 4.5084099999999997e-10 4.461417e-10 4.4174179999999997e-10 4.376053e-10 4.337025e-10 4.300084e-10 4.265018000000001e-10 4.2316450000000005e-10 4.1998110000000007e-10 4.1693780000000003e-10 4.14023e-10 4.110762e-10 4.0803960000000005e-10 4.049073e-10 4.0167330000000004e-10 3.983308e-10 3.9487199999999997e-10 3.9128880000000003e-10 3.875718e-10 3.837106e-10 3.796935e-10 3.755076e-10 3.711378e-10 3.665674e-10 3.617771e-10 3.5674450000000004e-10 3.514439e-10 3.458452e-10 3.399127e-10 3.336041e-10 3.2686860000000005e-10 3.1964400000000003e-10 3.118539e-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" [ 0.0711752 0.58382 1.75788 3.12333 4.25068 5.09003 5.71395 6.18699 6.55154 6.83555 7.05862 7.23505 7.37544 7.48761 7.57736 7.64906 7.70608 7.75113 7.78646 7.81401 7.83505 7.84987 7.85868 7.86159 7.85838 7.84779 7.8281 7.79709 7.75249 7.69158 7.61045 7.50401 7.36564 7.18689 6.95712 6.66309 6.28849 5.81309 5.21151 4.45142 3.4909 2.27499 0.730583 -1.24277 -3.79241 -7.14923 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1403524236027678e-20 9.3538276246188e-20 2.81643426137592e-19 5.00412634627122e-19 6.810340174611119e-19 8.155127132359019e-19 9.1547571778443e-19 9.91265081279166e-19 1.049672430471636e-18 1.0951758490538699e-18 1.130915603228508e-18 1.15918280558217e-18 1.1816757633468959e-18 1.199647378650474e-18 1.2140269139406239e-18 1.225514520406404e-18 1.234650131573472e-18 1.241867937309642e-18 1.247528427357564e-18 1.251942423984234e-18 1.25531340362217e-18 1.257687829393758e-18 1.259099347008312e-18 1.2595655804088058e-18 1.259051281709292e-18 1.257354576653886e-18 1.2541998908615398e-18 1.249231541119506e-18 1.242085833331866e-18 1.232326975454172e-18 1.21932851642253e-18 1.202274948330234e-18 1.180105630245576e-18 1.151466722912826e-18 1.114653510393408e-18 1.067544710823906e-18 1.007527174114266e-18 9.31359696933906e-19 8.349759549857338e-19 7.131961112120279e-19 5.5930384116306e-19 3.6449358205836596e-19 1.170523011797622e-19 -1.9911370554361796e-19 -6.07611068854794e-19 -1.145432925709182e-18 ] } }