{ "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" [ "Sn" "Sn" ] } "a" { "source-value" [ 5.68722 5.306155 5.069987 4.898397 4.763549 4.652449 4.557973 4.475786 4.403057 4.337831 4.278705 4.224634 4.174822 4.128646 4.085612 4.045318 4.007438 3.971698 3.937868 3.905756 3.875195 3.846042 3.818173 3.79148 3.764494 3.736686 3.708002 3.678386 3.647776 3.616103 3.583289 3.54925 3.51389 3.477103 3.43877 3.398753 3.356899 3.313031 3.266945 3.218404 3.167132 3.112805 3.055033 2.993352 2.927192 2.855853 2.778454 2.693868 2.600625 2.496747 2.379492 2.244898 2.086933 1.89574 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.68722e-10 5.306155000000001e-10 5.069987e-10 4.898397e-10 4.763549e-10 4.652449e-10 4.557973e-10 4.4757860000000004e-10 4.403057000000001e-10 4.337831000000001e-10 4.2787050000000005e-10 4.224634e-10 4.174822e-10 4.128646e-10 4.0856120000000006e-10 4.045318e-10 4.007438e-10 3.971698e-10 3.937868e-10 3.905756e-10 3.875195e-10 3.8460420000000004e-10 3.818173e-10 3.79148e-10 3.764494e-10 3.7366860000000003e-10 3.708002e-10 3.678386e-10 3.647776e-10 3.616103e-10 3.5832890000000005e-10 3.54925e-10 3.51389e-10 3.477103e-10 3.43877e-10 3.398753e-10 3.356899e-10 3.3130310000000004e-10 3.266945e-10 3.218404e-10 3.167132e-10 3.112805e-10 3.055033e-10 2.993352e-10 2.927192e-10 2.8558530000000005e-10 2.778454e-10 2.693868e-10 2.600625e-10 2.4967470000000003e-10 2.379492e-10 2.244898e-10 2.0869330000000002e-10 1.89574e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.824253 1.06963 1.28226 1.52809 1.83675 2.00316 2.15033 2.28213 2.40017 2.50575 2.59995 2.68366 2.75766 2.82259 2.87904 2.9275 2.96841 3.00218 3.02916 3.04968 3.06401 3.07244 3.0752 3.07221 3.0625 3.0448 3.01758 2.97899 2.92681 2.85835 2.77033 2.6587 2.51849 2.3435 2.12599 1.85617 1.52157 1.10618 0.589139 -0.056985 -0.868752 -1.89574 -3.20613 -4.89576 -7.10214 -10.0278 -13.9801 -19.4423 -27.2071 -38.6452 -56.2875 -85.2232 -136.939 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.3205988971044018e-19 1.71373619302542e-19 2.0544070107128397e-19 2.44827009264906e-19 2.9427979324995e-19 3.2094161461634395e-19 3.44520848138922e-19 3.6563753617504196e-19 3.84549629162778e-19 4.0146541006455e-19 4.1655791395683e-19 4.29969734560044e-19 4.418258416516439e-19 4.5222877453620595e-19 4.61273061635136e-19 4.690372096035e-19 4.75591714213194e-19 4.81002264706212e-19 4.85324937264744e-19 4.88612603717712e-19 4.90908522834234e-19 4.922591577366959e-19 4.9270135848768e-19 4.92222307674114e-19 4.906665941625e-19 4.8783074152032e-19 4.8346961672257195e-19 4.77286817091966e-19 4.68926659415754e-19 4.5795815817939e-19 4.43855799446922e-19 4.2597070168158e-19 4.0350658309626594e-19 3.754700941779e-19 3.4062115021176595e-19 2.97391220273178e-19 2.43782390099538e-19 1.7722957489981197e-19 9.439047399781259e-20 -9.130003548848999e-21 -1.391894155140768e-19 -3.0373103321391596e-19 -5.13678657156642e-19 -7.843872277671839e-19 -1.137888275939676e-18 -1.6066306850425197e-18 -2.2398589560983398e-18 -3.1149998771218196e-18 -4.3590579898901396e-18 -6.19164364562568e-18 -9.0182517286275e-18 -1.365426197147088e-17 -2.1940046608332596e-17 ] } }