{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -49.3362501 38.3668814 -127.9286997 ] [ 52.144915 -74.7911204 122.0718214 ] [ 4.0764833 -0.0495616 58.4313789 ] [ -15.2426363 34.6251494 -39.6125824 ] [ -4.7450287 -9.8543614 -16.5673647 ] [ 13.1025167 11.7030125 3.6054464 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.904538646816166e-08 6.147052039208636e-08 -2.04964371788684e-07 ] [ 8.354536370660324e-08 -1.198285845483179e-07 1.955806183055531e-07 ] [ 6.531246238341633e-09 -7.940643680944127e-11 9.361738919468643e-08 ] [ -2.442139551921741e-08 5.547560486038714e-08 -6.346635341079355e-08 ] [ -7.602374048165017e-09 -1.578842744799396e-08 -2.65438443906072e-08 ] [ 2.099254593038157e-08 1.875029302043016e-08 5.776561929627525e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 52.077974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.343811240143026e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4317686 0.6054767 0.7154966 ] [ 0.1965268 -0.3437324 2.8842447 ] [ 0.3076438 1.7972752 3.8888383 ] [ 0.5476756 2.8383521 1.7631961 ] [ 2.4694506 1.0860511 -0.4144122 ] [ 2.5805906 3.2270584 0.5901797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.317686e-11 6.054767e-11 7.154966000000001e-11 ] [ 1.965268e-11 -3.437324e-11 2.8842447e-10 ] [ 3.076438e-11 1.7972752e-10 3.888838300000001e-10 ] [ 5.476756000000001e-11 2.8383521e-10 1.7631961e-10 ] [ 2.4694506e-10 1.0860511e-10 -4.144122e-11 ] [ 2.5805906e-10 3.2270584e-10 5.901797e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 4e-06 2.9e-05 ] [ -1.09e-05 -2.8e-06 -1.15e-05 ] [ 1.2e-05 9.9e-06 -2.17e-05 ] [ -6.8e-06 -1.07e-05 7.9e-06 ] [ 7.9e-06 2e-07 -9.9e-06 ] [ -6.1e-06 -5e-07 6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 6.4087064832e-15 4.64631220032e-14 ] [ -1.746372516672e-14 -4.48609453824e-15 -1.84250311392e-14 ] [ 1.92261194496e-14 1.586154854592e-14 -3.476723267136e-14 ] [ -1.089480102144e-14 -1.714328984256e-14 1.265719530432e-14 ] [ 1.265719530432e-14 3.2043532416e-16 -1.586154854592e-14 ] [ -9.77327738688e-15 -8.010883104e-16 9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.844821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.378402514616088e-18 } }