{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6191183 -14.0751319 -6.1922187 ] [ -8.8915397 4.7568802 -12.0176702 ] [ -9.8998012 -1.2466087 10.8939373 ] [ 6.8348141 -1.3975593 -2.0184867 ] [ 5.5702274 -3.3238 6.4786825 ] [ 5.0742517 1.6979109 -3.9453848 ] [ 9.9311659 13.5883088 6.8011406 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.380934983216944e-08 -2.255084726485629e-08 -9.921028032020567e-09 ] [ -1.424581703025504e-08 7.62136224438643e-09 -1.925443023092486e-08 ] [ -1.586123003320779e-08 -1.997287314425881e-09 1.745401165052107e-08 ] [ 1.095057935853419e-08 -2.239136836641613e-09 -3.233972200135743e-09 ] [ 8.92448811281957e-09 -5.32531465221504e-09 1.03799936350861e-08 ] [ 8.129847441794655e-09 2.720353148181487e-09 -6.321203286619683e-09 ] [ 1.591148182226619e-08 2.17708706755709e-08 1.089662846409369e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2553922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.002224313677468e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.947448 1.3008597 2.4987004 ] [ 1.6084214 3.8720513 2.2339983 ] [ 1.4586378 2.7947218 4.5784945 ] [ 4.2487678 1.8630893 2.9041245 ] [ 3.790981 2.7692853 5.1296303 ] [ 3.9842773 4.159522 2.1040859 ] [ 4.4972397 4.9116567 4.3208161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.947448e-10 1.3008597e-10 2.4987004e-10 ] [ 1.6084214e-10 3.8720513e-10 2.2339983e-10 ] [ 1.4586378e-10 2.7947218e-10 4.5784945e-10 ] [ 4.248767800000001e-10 1.8630893e-10 2.9041245e-10 ] [ 3.790981e-10 2.7692853e-10 5.1296303e-10 ] [ 3.9842773e-10 4.159522e-10 2.1040859e-10 ] [ 4.4972397e-10 4.9116567e-10 4.3208161e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.07e-05 2.3e-05 3.68e-05 ] [ 1.47e-05 -1.67e-05 -1.25e-05 ] [ -1.16e-05 5.6e-06 1.93e-05 ] [ -1.32e-05 5.7e-06 -2.06e-05 ] [ -2.8e-05 2.9e-06 -5.36e-05 ] [ -1.05e-05 -3e-06 2.86e-05 ] [ 8e-06 -1.75e-05 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.520858846656e-14 3.68500622784e-14 5.896009964544001e-14 ] [ 2.355199632576e-14 -2.675634956736e-14 -2.002720776e-14 ] [ -1.858524880128e-14 8.972189076479999e-15 3.092200878144e-14 ] [ -2.114873139456e-14 9.13240673856e-15 -3.300483838848e-14 ] [ -4.48609453824e-14 4.646312200320001e-15 -8.587666687488e-14 ] [ -1.68228545184e-14 -4.8065298624e-15 4.582225135488e-14 ] [ 1.28174129664e-14 -2.8038090864e-14 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }