{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5578094 -3.9714682 3.6659975 ] [ -12.2877989 -7.36492 -4.1937309 ] [ -9.8380679 1.4971426 11.837957 ] [ -4.739385 2.8932797 -4.4615676 ] [ 2.0082173 4.9177364 -7.3009759 ] [ 14.6622271 -0.5820133 9.0229375 ] [ 7.636998 2.6102428 -8.5706176 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.098062421142476e-09 -6.362993500290659e-09 5.873575486411248e-09 ] [ -1.968722411867196e-08 -1.179990263806234e-08 -6.719097601906543e-09 ] [ -1.576232238322295e-08 2.398686871723726e-09 1.89664979434357e-08 ] [ -7.593331843970209e-09 4.635545092775238e-09 -7.148219300838767e-09 ] [ 3.2175188075461e-09 7.879082287337157e-09 -1.169745289600424e-08 ] [ 2.349147746848019e-08 -9.324881022546567e-10 1.44563395134396e-08 ] [ 1.223581964869636e-08 4.18206998877153e-09 -1.373164314453701e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.646437 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.987488542262009e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5422099 1.2869503 1.9016175 ] [ 2.4900138 0.3737519 4.0540577 ] [ 2.4379824 2.6667882 5.0232525 ] [ 1.4910876 3.5376355 2.852944 ] [ 4.0433758 1.1856539 2.2164887 ] [ 4.6585089 1.5264817 4.6417741 ] [ 3.9913066 3.4786973 3.1856575 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5422099e-10 1.2869503e-10 1.9016175e-10 ] [ 2.4900138e-10 3.737519000000001e-11 4.054057700000001e-10 ] [ 2.4379824e-10 2.6667882e-10 5.0232525e-10 ] [ 1.4910876e-10 3.5376355e-10 2.852944e-10 ] [ 4.0433758e-10 1.1856539e-10 2.2164887e-10 ] [ 4.6585089e-10 1.5264817e-10 4.6417741e-10 ] [ 3.9913066e-10 3.4786973e-10 3.1856575e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.55e-05 1.09e-05 1.14e-05 ] [ 1.11e-05 1.07e-05 -4e-06 ] [ 8.5e-06 -4.58e-05 8.15e-05 ] [ -3.81e-05 1.01e-05 -8.16e-05 ] [ 7.5e-06 -1.61e-05 -6.6e-06 ] [ -1.2e-05 2.39e-05 -1.37e-05 ] [ 4.85e-05 6.3e-06 1.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.08555038304e-14 1.746372516672e-14 1.826481347712e-14 ] [ 1.778416049088e-14 1.714328984256e-14 -6.4087064832e-15 ] [ 1.36185012768e-14 -7.337968923264e-14 1.305773945952e-13 ] [ -6.104292925248e-14 1.618198387008e-14 -1.3073761225728e-13 ] [ 1.2016324656e-14 -2.579504359488e-14 -1.057436569728e-14 ] [ -1.92261194496e-14 3.829202123712e-14 -2.194981970496e-14 ] [ 7.77055661088e-14 1.009371271104e-14 2.066807840832e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382305015138e-18 } }