{ "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" [ "Rb" "Rb" "Rb" "Rb" ] } "a" { "source-value" [ 10.6259 9.913927 9.472674 9.152081 8.900133 8.692557 8.516038 8.362482 8.226597 8.104731 7.994261 7.893236 7.800167 7.713894 7.633489 7.558206 7.487431 7.420655 7.357449 7.297451 7.240351 7.185882 7.133813 7.08394 7.049988 7.014254 6.976542 6.93662 6.894213 6.848989 6.800549 6.7484 6.691926 6.630344 6.562639 6.487455 6.402934 6.306423 6.193949 6.059164 5.89097 5.66715 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06259e-09 9.913927e-10 9.472674e-10 9.152081000000001e-10 8.900133e-10 8.692557000000001e-10 8.516038e-10 8.362482e-10 8.226597e-10 8.104730999999999e-10 7.994261e-10 7.893236e-10 7.800167e-10 7.713894e-10 7.633489e-10 7.558206000000001e-10 7.487431e-10 7.420655e-10 7.357449e-10 7.297451e-10 7.240351000000001e-10 7.185882e-10 7.133813e-10 7.08394e-10 7.049988e-10 7.014254e-10 6.976542000000001e-10 6.93662e-10 6.894213e-10 6.848989e-10 6.800549000000001e-10 6.7484e-10 6.691925999999999e-10 6.630344e-10 6.562639e-10 6.487455e-10 6.402934e-10 6.306423e-10 6.193949e-10 6.059164e-10 5.89097e-10 5.66715e-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 0.0221112 0.243342 0.396004 0.49854 0.56648 0.615626 0.653956 0.685538 0.711915 0.734026 0.752594 0.768183 0.781238 0.792121 0.801126 0.808494 0.814421 0.819058 0.822536 0.824969 0.826502 0.827316 0.827559 0.827453 0.827126 0.826562 0.825744 0.824654 0.823276 0.821589 0.819484 0.816656 0.812595 0.806436 0.796804 0.781484 0.757256 0.719903 0.662368 0.571411 0.429117 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.542604769783296e-21 3.898768632587136e-20 6.344683505432833e-20 7.98749132533632e-20 9.07601012150784e-20 9.863415843566209e-20 1.0477530142318848e-19 1.0983529562699905e-19 1.140613568996832e-19 1.1760392962593409e-19 1.2057885117543552e-19 1.2307648430960063e-19 1.2516812588805504e-19 1.2691177470447168e-19 1.2835453475150208e-19 1.2953501848570752e-19 1.3048462856885567e-19 1.3122755786792064e-19 1.317847948966349e-19 1.3217460446847553e-19 1.3242021814444416e-19 1.325506353213773e-19 1.3258956821326274e-19 1.3257258514108226e-19 1.3252019396558208e-19 1.3242983120416896e-19 1.3229877315658754e-19 1.3212413590492034e-19 1.319033559665741e-19 1.3163306877064513e-19 1.3129581059196673e-19 1.308427150436045e-19 1.301920711178976e-19 1.292052905371469e-19 1.2766207401599233e-19 1.2520753943292673e-19 1.213257859160525e-19 1.1534117558437825e-19 1.0612305239660544e-19 9.155013450679488e-20 6.875212249878336e-20 ] } }