{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8482884 -8.9648434 2.1946057 ] [ -13.0991244 0.0387655 9.8064699 ] [ -7.6282785 -5.9720517 0.2102652 ] [ 6.4136225 7.0480737 -14.8068636 ] [ 5.0415112 5.358069 11.8202778 ] [ 5.0003244 -6.2472971 -9.9307073 ] [ 3.4236563 8.739284 0.7059522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.359107853373246e-09 -1.436326262294911e-08 3.516145973383213e-09 ] [ -2.098711103953927e-08 6.210917830532699e-11 1.571169693580431e-08 ] [ -1.222184957034457e-08 -9.568281690779976e-09 3.368819903833368e-10 ] [ 1.027575610879666e-08 1.129225899684993e-08 -2.372321088274512e-08 ] [ 8.0773914446893e-09 8.584572955159745e-09 1.893817289854892e-08 ] [ 8.011402916100069e-09 -1.000927343927596e-08 -1.591074719515323e-08 ] [ 5.485302126706894e-09 1.400187662269005e-08 1.131060119560895e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.984933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.041721605065552e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3863068 1.2942684 1.9152233 ] [ 1.57497 3.3169966 3.2295989 ] [ 2.4943115 1.3482806 4.4369932 ] [ 2.7381527 3.559456 0.9364451 ] [ 4.0390603 3.1284763 5.2478999 ] [ 4.5244679 1.9252802 3.0147411 ] [ 3.8521489 4.3327249 3.0511445 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3863068e-10 1.2942684e-10 1.9152233e-10 ] [ 1.57497e-10 3.3169966e-10 3.2295989e-10 ] [ 2.4943115e-10 1.3482806e-10 4.4369932e-10 ] [ 2.7381527e-10 3.559456e-10 9.364451e-11 ] [ 4.0390603e-10 3.1284763e-10 5.247899900000001e-10 ] [ 4.5244679e-10 1.9252802e-10 3.014741100000001e-10 ] [ 3.8521489e-10 4.3327249e-10 3.0511445e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.92e-05 -1e-07 6.11e-05 ] [ 1.7e-05 -1.17e-05 -0.0001019 ] [ 1.8e-05 -9.3e-06 -2.2e-06 ] [ -1.41e-05 3.21e-05 8.95e-05 ] [ -2.11e-05 -6.2e-06 -4.5e-06 ] [ -1.2e-06 3.55e-05 -1.74e-05 ] [ 2.05e-05 -4.03e-05 -2.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.076179137279999e-14 -1.602176634e-16 9.789299233739998e-14 ] [ 2.723700277799999e-14 -1.87454666178e-14 -1.632617990046e-13 ] [ 2.8839179412e-14 -1.49002426962e-14 -3.5247885948e-15 ] [ -2.25906905394e-14 5.14298699514e-14 1.43394808743e-13 ] [ -3.38059269774e-14 -9.9334951308e-15 -7.209794853e-15 ] [ -1.9226119608e-15 5.6877270507e-14 -2.78778734316e-14 ] [ 3.2844620997e-14 -6.456771835019998e-14 -3.94135451964e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.335586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.219426053189752e-18 } }