{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4002361 -2.0704158 -3.0711147 ] [ -3.0899813 -5.6190211 12.2734133 ] [ -7.0284709 3.5641125 -4.0194097 ] [ 2.9298072 0.6087177 -10.1861131 ] [ 4.0331359 -1.7243959 3.1205665 ] [ 1.5560656 0.621563 -1.2640936 ] [ 2.9996795 4.6194396 3.1467513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.243425561503287e-09 -3.317171817424417e-09 -4.920468212673919e-09 ] [ -4.950695838356944e-09 -9.002664312372976e-09 1.966417600868483e-08 ] [ -1.126085184872895e-08 5.710337768447324e-09 -6.439804303812949e-09 ] [ 4.694068637964964e-09 9.752732756422219e-10 -1.63199524001013e-08 ] [ 6.46179610072656e-09 -2.7627868187454e-09 4.99969873114316e-09 ] [ 2.49309194529119e-09 9.958537151589419e-10 -2.025301229108942e-09 ] [ 4.806016404388803e-09 7.401158189294305e-09 5.041651405869124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.430236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.311978694230562e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0303412 1.7400312 2.7199918 ] [ 3.1750533 2.0166589 4.8750972 ] [ 1.2510565 4.0374891 2.4837793 ] [ 4.3023288 2.0885255 1.8551244 ] [ 5.2510189 1.3348541 3.9125441 ] [ 3.725264 4.4194591 2.0623419 ] [ 2.8384373 4.3629241 4.4381284 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0303412e-10 1.7400312e-10 2.7199918e-10 ] [ 3.1750533e-10 2.0166589e-10 4.8750972e-10 ] [ 1.2510565e-10 4.0374891e-10 2.4837793e-10 ] [ 4.3023288e-10 2.0885255e-10 1.8551244e-10 ] [ 5.2510189e-10 1.3348541e-10 3.9125441e-10 ] [ 3.725264e-10 4.4194591e-10 2.0623419e-10 ] [ 2.8384373e-10 4.3629241e-10 4.4381284e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.61e-05 4.3e-05 6e-07 ] [ -1.36e-05 3.99e-05 2.45e-05 ] [ -1.87e-05 -2.73e-05 -3.25e-05 ] [ 1.42e-05 7.7e-06 -7.6e-06 ] [ 1.89e-05 -5.62e-05 -6.7e-06 ] [ -3.26e-05 7.3e-06 1.9e-06 ] [ 1.56e-05 -1.44e-05 1.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.579504380739999e-14 6.889359526199999e-14 9.613059803999998e-16 ] [ -2.17896022224e-14 6.392684769659999e-14 3.925332753299999e-14 ] [ -2.99607030558e-14 -4.37394221082e-14 -5.207074060499999e-14 ] [ 2.27509082028e-14 1.23367600818e-14 -1.21765424184e-14 ] [ 3.02811383826e-14 -9.004232683079999e-14 -1.07345834478e-14 ] [ -5.22309582684e-14 1.16958894282e-14 3.0441356046e-15 ] [ 2.49939554904e-14 -2.30713435296e-14 3.17230973532e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.078105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.896431741799857e-18 } }