{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ca" "Ca" ] } "a" { "source-value" [ 5.3529 4.994236 4.77195 4.610448 4.483527 4.378958 4.290035 4.212679 4.144225 4.082834 4.027184 3.976291 3.929407 3.885946 3.845441 3.807517 3.771863 3.738224 3.706383 3.676158 3.647394 3.619955 3.593724 3.5686 3.551496 3.533495 3.514498 3.494386 3.473023 3.450242 3.425839 3.399569 3.37112 3.340097 3.30599 3.268116 3.225538 3.176919 3.120259 3.05236 2.967631 2.85488 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3529e-10 4.994236e-10 4.77195e-10 4.610448e-10 4.483527e-10 4.378958e-10 4.290035e-10 4.212679e-10 4.1442249999999997e-10 4.082834e-10 4.0271840000000004e-10 3.9762909999999997e-10 3.929407e-10 3.885946e-10 3.845441e-10 3.807517e-10 3.7718630000000003e-10 3.7382240000000005e-10 3.7063830000000005e-10 3.676158e-10 3.647394e-10 3.619955e-10 3.593724e-10 3.5686e-10 3.5514960000000004e-10 3.533495e-10 3.514498e-10 3.494386e-10 3.473023e-10 3.450242e-10 3.425839e-10 3.3995690000000003e-10 3.37112e-10 3.340097e-10 3.30599e-10 3.268116e-10 3.225538e-10 3.176919e-10 3.120259e-10 3.0523600000000004e-10 2.967631e-10 2.85488e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.469447 0.658264 0.801156 0.916713 1.01333 1.09571 1.16683 1.22872 1.28284 1.33029 1.37194 1.40846 1.4404 1.46822 1.4923 1.51297 1.5305 1.54514 1.55709 1.56654 1.57366 1.57859 1.58146 1.5824 1.58195 1.58047 1.57774 1.57347 1.56729 1.55872 1.54715 1.53174 1.51137 1.48445 1.44874 1.40094 1.33598 1.24571 1.11624 0.92184 0.609094 0.0462303 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.521370081046976e-20 1.0546551911142912e-19 1.2835934128136448e-19 1.4687361365834306e-19 1.6235336351552642e-19 1.755520945176768e-19 1.8694677464480642e-19 1.9686264575093761e-19 2.055336256227072e-19 2.131359536884032e-19 2.198090193140352e-19 2.256601683331968e-19 2.30777520460032e-19 2.352347758190976e-19 2.39092817121984e-19 2.424045161971776e-19 2.4521313181344003e-19 2.4755871838629122e-19 2.494733194481472e-19 2.509873763548032e-19 2.5212812610881284e-19 2.529179991828672e-19 2.5337782387303683e-19 2.5352842847539203e-19 2.53456330527456e-19 2.5321920838757764e-19 2.527818141700992e-19 2.520976847530176e-19 2.511075396013632e-19 2.4973447423733763e-19 2.47880755887072e-19 2.4541180171441923e-19 2.4214816793784963e-19 2.3783510847465604e-19 2.321137357617792e-19 2.2445533151435524e-19 2.1404759218563841e-19 1.9958474382967682e-19 1.7884136312017918e-19 1.476950496118272e-19 9.758761666695553e-20 7.406910583257025e-21 ] } }