{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4268311 0.1213528 -1.5418051 ] [ 0.4257951 0.5460656 1.7385474 ] [ -1.0286773 0.2190231 -1.0246969 ] [ 0.1491561 -1.2654626 -1.2144138 ] [ 0.2810412 0.4240074 -0.0909843 ] [ -0.2382628 0.3469649 1.0219313 ] [ 0.8377789 -0.3919511 1.1114214 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.838588150845174e-10 1.944286206304752e-10 -2.470244105402033e-09 ] [ 6.821989600916933e-10 8.748935449511904e-10 2.785460021381452e-09 ] [ -1.648122733986208e-09 3.509136931262454e-10 -1.641745430112234e-09 ] [ 2.389744182385674e-10 -2.027494608920888e-09 -1.945705414367149e-09 ] [ 4.502776438313207e-10 6.793347489230914e-10 -1.457729195208462e-10 ] [ -3.817390909114152e-10 5.558990555981465e-10 1.637314450413244e-09 ] [ 1.342269778038222e-09 -6.279748940905974e-10 1.780693397607567e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.531698005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.969105353318195e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.717365 1.7824103 1.9524186 ] [ 1.8114635 1.7370442 4.2456231 ] [ 2.5613053 3.9139163 2.0713752 ] [ 3.8249863 0.904549 1.8003873 ] [ 4.7578806 2.9990073 1.9129201 ] [ 4.0080409 0.822145 4.0871762 ] [ 3.7050433 3.2067443 4.0639715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.717365e-10 1.7824103e-10 1.9524186e-10 ] [ 1.8114635e-10 1.7370442e-10 4.2456231e-10 ] [ 2.5613053e-10 3.9139163e-10 2.0713752e-10 ] [ 3.8249863e-10 9.04549e-11 1.8003873e-10 ] [ 4.7578806e-10 2.9990073e-10 1.9129201e-10 ] [ 4.0080409e-10 8.22145e-11 4.0871762e-10 ] [ 3.7050433e-10 3.2067443e-10 4.0639715e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.21e-05 -1.18e-05 -1.36e-05 ] [ -3e-07 2.18e-05 1.5e-06 ] [ 1e-05 -1.81e-05 2.12e-05 ] [ 1e-06 9.7e-06 -1.63e-05 ] [ -2.2e-06 -1.09e-05 9.4e-06 ] [ 1.04e-05 1.81e-05 4e-07 ] [ -6.9e-06 -8.9e-06 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.93863372714e-14 -1.89056842812e-14 -2.17896022224e-14 ] [ -4.806529901999999e-16 3.492745062119999e-14 2.403264951e-15 ] [ 1.602176634e-14 -2.899939707539999e-14 3.39661446408e-14 ] [ 1.602176634e-15 1.55411133498e-14 -2.61154791342e-14 ] [ -3.5247885948e-15 -1.74637253106e-14 1.50604603596e-14 ] [ 1.66626369936e-14 2.899939707539999e-14 6.408706536e-16 ] [ -1.10550187746e-14 -1.42593720426e-14 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }