{ "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" [ [ -5.5662661 -3.8407471 0.421025 ] [ -5.2843817 1.3667167 -8.7096348 ] [ -3.2875894 -2.1143843 4.2294295 ] [ 5.088325 0.6907095 -0.6590711 ] [ 1.2157637 -0.5602384 -0.0682366 ] [ 0.7124129 -0.3485901 0.716209 ] [ 7.1217357 4.8065338 4.070279 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.918141410571594e-09 -6.153555210025401e-09 6.745564117723199e-10 ] [ -8.466512815123359e-09 2.189721543996928e-09 -1.395437325226608e-08 ] [ -5.2672988754699e-09 -3.387617092846574e-09 6.776293064221833e-09 ] [ 8.15239535403216e-09 1.106638612664458e-09 -1.055948307864939e-09 ] [ 1.947868176557305e-09 -8.976008665543987e-10 -1.093270852028813e-10 ] [ 1.141411292736328e-09 -5.585029084623341e-10 1.147493315406547e-09 ] [ 1.141027843805672e-08 7.700916081444984e-09 6.521305853933203e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.166585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.750390114597597e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8275158 1.8935357 2.7858232 ] [ 1.9793696 4.1070202 2.0065287 ] [ 1.8310276 2.7562018 4.9734402 ] [ 4.1931843 1.747143 2.8374461 ] [ 4.2009364 2.6095355 5.0251609 ] [ 4.349278 3.9603622 2.0582352 ] [ 3.1544612 4.5973876 4.0832157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8275158e-10 1.8935357e-10 2.7858232e-10 ] [ 1.9793696e-10 4.1070202e-10 2.0065287e-10 ] [ 1.8310276e-10 2.7562018e-10 4.9734402e-10 ] [ 4.1931843e-10 1.747143e-10 2.8374461e-10 ] [ 4.2009364e-10 2.6095355e-10 5.025160900000001e-10 ] [ 4.349278e-10 3.9603622e-10 2.0582352e-10 ] [ 3.1544612e-10 4.597387600000001e-10 4.083215700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 4e-07 -4e-06 ] [ -4.8e-06 6e-06 -9.8e-06 ] [ 2.13e-05 5.2e-06 -2.5e-06 ] [ -1.3e-06 -1.12e-05 3.1e-06 ] [ 4e-07 4.6e-06 -8.7e-06 ] [ 1e-07 -3.9e-06 1.71e-05 ] [ -1.27e-05 -1e-06 4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 6.408706483200001e-16 -6.4087064832e-15 ] [ -7.69044777984e-15 9.6130597248e-15 -1.570133088384e-14 ] [ 3.412636202304e-14 8.33131842816e-15 -4.005441552e-15 ] [ -2.08282960704e-15 -1.794437815296e-14 4.96674752448e-15 ] [ 6.408706483200001e-16 7.370012455680001e-15 -1.393893660096e-14 ] [ 1.6021766208e-16 -6.24848882112e-15 2.739722021568e-14 ] [ -2.034764308416e-14 -1.6021766208e-15 7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }