{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1126891 1.464287 0.6414025 ] [ 1.365449 0.1265984 2.502806 ] [ 0.3364486 2.37729 2.80341 ] [ 2.851665 1.424041 0.0715282 ] [ 2.597469 0.5436052 1.609588 ] [ 2.328633 2.330176 2.375244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.126891e-11 1.464287e-10 6.414025e-11 ] [ 1.365449e-10 1.265984e-11 2.502806e-10 ] [ 3.364486e-11 2.37729e-10 2.80341e-10 ] [ 2.851665e-10 1.424041e-10 7.15282e-12 ] [ 2.597469e-10 5.436052e-11 1.609588e-10 ] [ 2.328633e-10 2.330176e-10 2.375244e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5087009 -3.6950116 -4.9976141 ] [ -838.9523642 -254.1039832 546.9527728 ] [ -62.8795654 -11.2534202 17.636328 ] [ 1.3128942 151.5547022 -267.0386082 ] [ 820.086575 87.3086107 -286.1954565 ] [ 78.9237595 30.1891021 -6.3574219 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.41720532967477e-09 -5.920061247878954e-09 -8.007060536768939e-09 ] [ -1.344149874960298e-06 -4.071194644893685e-07 8.763149524816708e-07 ] [ -1.007441704399548e-07 -1.80299668970236e-08 2.825651263115995e-08 ] [ 2.103488410154122e-09 2.428174026376684e-07 -4.278430184339208e-07 ] [ 1.313923548322089e-06 1.398838160105424e-07 -4.585356731612633e-07 ] [ 1.264498033383355e-07 4.836827398606033e-08 -1.018571282065989e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 246.75018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.953373728312941e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0186852 1.3188741 0.4600341 ] [ 0.7184185 -0.2023315 2.4956718 ] [ 0.3533002 2.384238 2.8476169 ] [ 2.489204 1.7403288 -0.0741913 ] [ 3.1889372 0.2191586 1.9614725 ] [ 2.8238086 2.8057297 2.3133748 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.86852e-12 1.3188741e-10 4.600341e-11 ] [ 7.184185e-11 -2.023315e-11 2.4956718e-10 ] [ 3.533002e-11 2.384238e-10 2.8476169e-10 ] [ 2.489204e-10 1.7403288e-10 -7.41913e-12 ] [ 3.1889372e-10 2.191586e-11 1.9614725e-10 ] [ 2.8238086e-10 2.8057297e-10 2.3133748e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.83e-05 5.6e-06 1.26e-05 ] [ 1.98e-05 2e-05 8.3e-06 ] [ -1.16e-05 -4e-07 -1.3e-06 ] [ -3e-06 1.7e-06 -2.33e-05 ] [ -9.4e-06 -3.27e-05 -7.2e-06 ] [ -2.41e-05 5.8e-06 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.53415987422e-14 8.972189150399999e-15 2.01874255884e-14 ] [ 3.17230973532e-14 3.204353268e-14 1.32980660622e-14 ] [ -1.85852489544e-14 -6.408706536e-16 -2.0828296242e-15 ] [ -4.806529901999999e-15 2.7237002778e-15 -3.733071557219999e-14 ] [ -1.50604603596e-14 -5.23911759318e-14 -1.15356717648e-14 ] [ -3.86124568794e-14 9.2926244772e-15 1.74637253106e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.635403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.30615605197735e-18 } }