{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -63.7572227 -73.8193715 -45.0298653 ] [ -44.7102097 -68.3694102 -138.8496132 ] [ -1297.7440645 872.552978 94.9115811 ] [ 2117.6656255 -1852.8246355 760.63292 ] [ -11.2313828 2.5582441 9.4467022 ] [ -700.2227456 1119.9021951 -681.1117249 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.021503324586744e-07 -1.182716721538655e-07 -7.214579801582739e-08 ] [ -7.163365328258013e-08 -1.095398715028013e-07 -2.224616059089779e-07 ] [ -2.079215217054089e-06 1.397983993278716e-06 1.52065117534416e-07 ] [ 3.392874383801094e-06 -2.968552337897667e-06 1.218668291475191e-06 ] [ -1.79946590896695e-08 4.098758921088359e-09 1.51352855331964e-08 ] [ -1.121880521595646e-06 1.794281129354529e-06 -1.091261290778216e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 944.22244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.512811130666467e-16 } "relaxed-configuration-positions" { "source-value" [ [ 1.2773439 0.0299817 1.7028386 ] [ 0.2821011 2.0179013 0.3855819 ] [ -0.1129586 3.396053 2.535188 ] [ 3.1421081 0.3564792 3.4877052 ] [ 2.6191137 2.9300691 -0.2328852 ] [ 2.3090608 2.5139022 2.3026697 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2773439e-10 2.99817e-12 1.7028386e-10 ] [ 2.821011e-11 2.0179013e-10 3.855819e-11 ] [ -1.129586e-11 3.396053e-10 2.535188000000001e-10 ] [ 3.1421081e-10 3.564792e-11 3.4877052e-10 ] [ 2.6191137e-10 2.9300691e-10 -2.328852e-11 ] [ 2.3090608e-10 2.5139022e-10 2.3026697e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.44e-05 1.4e-05 -7.41e-05 ] [ 2.4e-05 4.2e-06 1.48e-05 ] [ -4.2e-06 -6.1e-06 8.1e-06 ] [ 5.76e-05 -5.53e-05 8.8e-05 ] [ -1.87e-05 -2.5e-05 -3.43e-05 ] [ -2.41e-05 6.82e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.51148762096e-14 2.243047287599999e-14 -1.187212885794e-13 ] [ 3.8452239216e-14 6.729141862799999e-15 2.37122141832e-14 ] [ -6.729141862799999e-15 -9.773277467399999e-15 1.29776307354e-14 ] [ 9.228537411839999e-14 -8.86003678602e-14 1.40991543792e-13 ] [ -2.99607030558e-14 -4.005441585e-14 -5.49546585462e-14 ] [ -3.86124568794e-14 1.092684464388e-13 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.950655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.196447327399527e-18 } }