{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.613078 -15.5911225 4.8560155 ] [ -13.7047078 16.6150237 -3.4858772 ] [ 0.8952648 -0.4285654 0.7713123 ] [ -0.106341 0.1208344 -0.2076279 ] [ 12.1370786 -1.1089192 -1.9145183 ] [ -0.8343725 0.392749 -0.0193044 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.584435859126823e-09 -2.497973196152885e-08 7.780194504342422e-09 ] [ -2.195736243205541e-08 2.662020252617791e-08 -5.584990952819766e-09 ] [ 1.434372331985188e-09 -6.866374643638003e-10 1.235778534395476e-09 ] [ -1.703770640324928e-10 1.935980506683955e-10 -3.326565672058003e-10 ] [ 1.9445743577732e-08 -1.776684416596239e-09 -3.067396460353761e-09 ] [ -1.336812112538448e-09 6.292532656425793e-10 -3.092905835857151e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -0.6168042790819399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.882293955544827e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.4740843 0.9261685 0.7333371 ] [ 0.1162906 3.2393751 0.6162835 ] [ 0.3387378 2.4722754 2.8947984 ] [ 1.3502596 0.3582193 2.9103321 ] [ 2.2883344 2.3818812 0.3007306 ] [ 2.6875427 2.2847978 2.6809565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.740843000000001e-11 9.261685e-11 7.333371e-11 ] [ 1.162906e-11 3.2393751e-10 6.162835e-11 ] [ 3.387378e-11 2.4722754e-10 2.8947984e-10 ] [ 1.3502596e-10 3.582193e-11 2.9103321e-10 ] [ 2.2883344e-10 2.3818812e-10 3.007306e-11 ] [ 2.6875427e-10 2.2847978e-10 2.6809565e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 3e-06 3.1e-06 ] [ -1.25e-05 2.05e-05 -1.47e-05 ] [ 1.33e-05 -1.58e-05 -8e-07 ] [ 6e-07 -1.29e-05 3.41e-05 ] [ 1.56e-05 1.27e-05 -8.1e-06 ] [ -1.77e-05 -7.6e-06 -1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 4.8065298624e-15 4.96674752448e-15 ] [ -2.002720776e-14 3.28446207264e-14 -2.355199632576e-14 ] [ 2.130894905664e-14 -2.531439060864e-14 -1.28174129664e-15 ] [ 9.6130597248e-16 -2.066807840832e-14 5.463422276928e-14 ] [ 2.499395528448e-14 2.034764308416e-14 -1.297763062848e-14 ] [ -2.835852618816e-14 -1.217654231808e-14 -2.194981970496e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.6065442790819375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058485078822507e-18 } }