{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.3466885 -1.2214993 -3.1731436 ] [ 0.9389049 -6.0498343 -1.4223706 ] [ -2.6947192 0.280303 -9.5979563 ] [ -1.3849209 -6.2776874 7.537761 ] [ 10.2593801 2.6732736 1.2202199 ] [ 2.7971696 7.3022218 -3.3560576 ] [ -1.5691261 3.2932226 8.7915472 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.337286917580022e-08 -1.957057620783566e-09 -5.083936490361147e-09 ] [ 1.504291479934562e-09 -9.692903075173933e-09 -2.278888921433269e-09 ] [ -4.317416101860879e-09 4.490949133401024e-10 -1.537762119132007e-08 ] [ -2.218887887637295e-09 -1.005796398497074e-08 1.207682444737803e-08 ] [ 1.643733894012077e-08 4.283056462921851e-09 1.955007796014914e-09 ] [ 4.481559737532488e-09 1.169944904785609e-08 -5.376997024778159e-09 ] [ -2.514017152507083e-09 5.27632425681019e-09 1.40856113844997e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8305554 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.535049685759193e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4543981 3.2329933 2.2850832 ] [ 4.7275968 1.3933784 2.1547745 ] [ 3.3746261 2.962878 0.8843734 ] [ 3.7458428 1.7199736 4.2809134 ] [ 6.2985372 3.1513249 2.5605726 ] [ 4.492004 4.7040703 2.3423329 ] [ 2.930938 3.9259905 4.0350893 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4543981e-10 3.2329933e-10 2.2850832e-10 ] [ 4.7275968e-10 1.3933784e-10 2.1547745e-10 ] [ 3.3746261e-10 2.962878e-10 8.843734e-11 ] [ 3.7458428e-10 1.7199736e-10 4.2809134e-10 ] [ 6.298537200000001e-10 3.1513249e-10 2.5605726e-10 ] [ 4.492004e-10 4.7040703e-10 2.3423329e-10 ] [ 2.930938e-10 3.9259905e-10 4.0350893e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 -5e-07 -1e-06 ] [ -1.82e-05 -4.54e-05 -2.65e-05 ] [ 1.78e-05 1.24e-05 1.2e-06 ] [ 2.64e-05 -3.2e-06 3.35e-05 ] [ 2.55e-05 -9.5e-06 -7.3e-06 ] [ -1.26e-05 3.29e-05 7.9e-06 ] [ -3.83e-05 1.32e-05 -7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-16 -8.010883104e-16 -1.6021766208e-15 ] [ -2.915961449856e-14 -7.273881858432e-14 -4.24576804512e-14 ] [ 2.851874385024e-14 1.986699009792e-14 1.92261194496e-15 ] [ 4.229746278912e-14 -5.126965186560001e-15 5.36729167968e-14 ] [ 4.08555038304e-14 -1.52206778976e-14 -1.169588933184e-14 ] [ -2.018742542208e-14 5.271161082432e-14 1.265719530432e-14 ] [ -6.136336457664001e-14 2.114873139456e-14 -1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }