{ "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" [ [ -4.0500892 -2.9893046 -0.9139911 ] [ -3.0066827 2.0746794 -5.5460929 ] [ -6.29984 -0.9214821 4.8336148 ] [ 3.71394 -0.2765495 -0.1966648 ] [ 3.6109719 -2.123503 2.5853173 ] [ 1.8000739 1.1783812 -2.1583026 ] [ 4.2316263 3.0577787 1.3961192 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.488958281855753e-09 -4.789393982028716e-09 -1.464375184103957e-09 ] [ -4.817236767792031e-09 3.324002857721139e-09 -8.885820454373298e-09 ] [ -1.009345644593856e-08 -1.476377089269251e-09 7.744304690316583e-09 ] [ 5.950387888077959e-09 -4.43081147044383e-10 -3.150917472902832e-10 ] [ 5.785414804210583e-09 -3.402226888828901e-09 4.142134969535967e-09 ] [ 2.884036342053252e-09 1.887974824584881e-09 -3.457981994821448e-09 ] [ 6.779812781679873e-09 4.899101585082896e-09 2.236829560518773e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.783821064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.368629267144604e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3144974 1.6763181 2.9580448 ] [ 1.922198 4.1095856 2.6972913 ] [ 1.17564 3.0816332 4.7021243 ] [ 4.7271601 2.107295 2.7282679 ] [ 3.3799958 2.3315469 5.2446058 ] [ 3.9517062 3.9830206 1.461563 ] [ 4.0645755 4.3817866 3.977953 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3144974e-10 1.6763181e-10 2.9580448e-10 ] [ 1.922198e-10 4.1095856e-10 2.6972913e-10 ] [ 1.17564e-10 3.081633200000001e-10 4.7021243e-10 ] [ 4.7271601e-10 2.107295e-10 2.7282679e-10 ] [ 3.3799958e-10 2.3315469e-10 5.244605800000001e-10 ] [ 3.9517062e-10 3.9830206e-10 1.461563e-10 ] [ 4.0645755e-10 4.3817866e-10 3.977953e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -7.47e-05 -1e-05 ] [ -4.11e-05 6.29e-05 -3.72e-05 ] [ -4.44e-05 1.83e-05 1.54e-05 ] [ 6.13e-05 -3.81e-05 -5.97e-05 ] [ -2.08e-05 -9.18e-05 0.0001621 ] [ 4.7e-06 3.97e-05 -4.94e-05 ] [ 4.24e-05 8.36e-05 -2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.5247885948e-15 -1.196825945598e-13 -1.602176634e-14 ] [ -6.58494596574e-14 1.007769102786e-13 -5.96009707848e-14 ] [ -7.11366425496e-14 2.93198324022e-14 2.46735201636e-14 ] [ 9.821342766419999e-14 -6.10429297554e-14 -9.56499450498e-14 ] [ -3.332527398719999e-14 -1.470798150012e-13 2.597128323714e-13 ] [ 7.530230179799999e-15 6.36064123698e-14 -7.91475257196e-14 ] [ 6.79322892816e-14 1.339419666024e-13 -3.39661446408e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.14226006491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.906710516396036e-18 } }