{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 854.0050875 -2491.2967463 -1015.8260397 ] [ -967.0848656 2250.9108242 941.4923163 ] [ 2.7382066 -28.5383272 -10.6953254 ] [ 190.2889679 77.2909187 -236.9540078 ] [ -79.9473964 191.6333307 321.9830566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.368266996509625e-06 -3.991497435282086e-06 -1.627532745016096e-06 ] [ -1.54944077475935e-06 3.606356727750922e-06 1.508436990266397e-06 ] [ 4.387090633584583e-09 -4.572344101328664e-08 -1.71358004489067e-08 ] [ 3.04876538077356e-07 1.238337039615336e-07 -3.796421746298137e-07 ] [ -1.280898504612157e-07 3.070304447431348e-07 5.158737298284194e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 674.37211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.080463237263278e-16 } "relaxed-configuration-positions" { "source-value" [ [ 1.4068568 -0.7788883 -0.2236639 ] [ 0.0537961 1.0762735 0.7409946 ] [ -0.1256697 0.8858174 3.3104655 ] [ 0.890637 3.3826585 -0.0658059 ] [ 1.4308279 2.7687397 2.4071292 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4068568e-10 -7.788883e-11 -2.236639e-11 ] [ 5.37961e-12 1.0762735e-10 7.409945999999999e-11 ] [ -1.256697e-11 8.858174e-11 3.3104655e-10 ] [ 8.90637e-11 3.3826585e-10 -6.58059e-12 ] [ 1.4308279e-10 2.7687397e-10 2.4071292e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.55e-05 2.4e-06 2.27e-05 ] [ -0.0001355 4.29e-05 4.48e-05 ] [ 1.8e-05 -6.6e-06 -7.6e-05 ] [ 8.7e-06 -3.22e-05 1.46e-05 ] [ 4.33e-05 -6.5e-06 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04942569527e-13 3.845223921599999e-15 3.636940959179999e-14 ] [ -2.17094933907e-13 6.873337759859999e-14 7.177751320319999e-14 ] [ 2.8839179412e-14 -1.05743657844e-14 -1.21765424184e-13 ] [ 1.39389367158e-14 -5.159008761479998e-14 2.33917788564e-14 ] [ 6.93742482522e-14 -1.0414148121e-14 -9.773277467399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.741214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.522020526159367e-18 } }