{ "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" [ [ 0.9398812 2.717033 1.670565 ] [ 2.278193 2.647912 4.038221 ] [ 1.856764 5.001969 2.684043 ] [ 3.35912 1.891848 2.112837 ] [ 5.060666 2.631323 3.812603 ] [ 4.070835 4.158298 1.920429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398812e-11 2.717033e-10 1.670565e-10 ] [ 2.278193e-10 2.647912e-10 4.038221e-10 ] [ 1.856764e-10 5.001969e-10 2.684043e-10 ] [ 3.35912e-10 1.891848e-10 2.112837e-10 ] [ 5.060666e-10 2.631323e-10 3.812603e-10 ] [ 4.070835e-10 4.158298e-10 1.920429e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8507409 0.2420804 -1.5090608 ] [ -2.8442609 -0.8123558 5.3650248 ] [ -0.030804 0.4974886 -0.2055892 ] [ 0.0979927 -3.4797854 -3.3183137 ] [ 3.0411006 -0.001909 2.2876536 ] [ 1.5867126 3.5544812 -2.6197147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.965213801138351e-09 3.878555572339123e-10 -2.417781933125745e-09 ] [ -4.557008317435567e-09 -1.30153747053128e-09 8.595717304572195e-09 ] [ -4.93534486271232e-11 7.970646040345229e-10 -3.293902097289753e-10 ] [ 1.570016129490682e-10 -5.575230813281177e-09 -5.316524630620346e-09 ] [ 4.872380282820853e-09 -3.0585551691072e-12 3.665225114408955e-09 ] [ 2.542193831648782e-09 5.69490667771313e-09 -4.197245645506086e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7814404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.262888643428602e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9919637 2.5936033 1.4902234 ] [ 2.5391845 3.4583006 5.0156168 ] [ 1.9212119 4.354082 2.8588544 ] [ 3.1853959 2.0128403 0.6700164 ] [ 4.7326191 2.8775385 4.1954151 ] [ 4.1950841 3.7520183 2.008572 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.919637e-11 2.5936033e-10 1.4902234e-10 ] [ 2.5391845e-10 3.4583006e-10 5.0156168e-10 ] [ 1.9212119e-10 4.354082e-10 2.8588544e-10 ] [ 3.1853959e-10 2.0128403e-10 6.700164e-11 ] [ 4.7326191e-10 2.8775385e-10 4.1954151e-10 ] [ 4.1950841e-10 3.7520183e-10 2.008572e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 1.2e-06 -3.2e-06 ] [ 4.4e-06 1.9e-06 -8e-07 ] [ 4e-07 -3.1e-06 8e-07 ] [ -1e-07 1e-07 2.5e-06 ] [ -2.9e-06 -4e-07 -1.3e-06 ] [ -3.3e-06 5e-07 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.24304726912e-15 1.92261194496e-15 -5.126965186560001e-15 ] [ 7.04957713152e-15 3.04413557952e-15 -1.28174129664e-15 ] [ 6.408706483200001e-16 -4.96674752448e-15 1.28174129664e-15 ] [ -1.6021766208e-16 1.6021766208e-16 4.005441552e-15 ] [ -4.646312200320001e-15 -6.408706483200001e-16 -2.08282960704e-15 ] [ -5.28718284864e-15 8.010883104e-16 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9523637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.434326782103859e-18 } }