{ "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" [ [ -2.7818168 -8.7319201 -5.7094768 ] [ -8.4496736 4.5404806 -10.8086589 ] [ -10.4128751 -1.7084987 13.1331561 ] [ 4.1781682 -2.07659 -1.023974 ] [ 3.772338 -1.1715973 4.2529784 ] [ 5.5675455 1.1187467 -5.7275779 ] [ 8.1263138 8.0293786 5.8835531 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.456961840308669e-09 -1.39900782389136e-08 -9.147590245959998e-09 ] [ -1.353786949531097e-08 7.274651864515957e-09 -1.731738059178185e-08 ] [ -1.668326504053046e-08 -2.737316673807193e-09 2.104163566073691e-08 ] [ 6.69416340781002e-09 -3.327063948987072e-09 -1.640587203107059e-09 ] [ 6.043951749355431e-09 -1.877105803052404e-09 6.814022561247391e-09 ] [ 8.920191235340246e-09 1.792429807337151e-09 -9.17659140519076e-09 ] [ 1.301978998364441e-08 1.286448267247183e-08 9.426491224055366e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.177478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.072570689750634e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.128259 1.5803774 3.0789134 ] [ 1.8312753 3.9551543 2.3916768 ] [ 1.4482685 3.2987493 4.7997867 ] [ 4.5894994 1.7601484 2.554223 ] [ 3.7686453 2.3055325 4.8767114 ] [ 4.2978963 4.0909536 1.8793009 ] [ 3.4719292 4.6802705 4.1892379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.128259e-10 1.5803774e-10 3.0789134e-10 ] [ 1.8312753e-10 3.9551543e-10 2.3916768e-10 ] [ 1.4482685e-10 3.2987493e-10 4.7997867e-10 ] [ 4.5894994e-10 1.7601484e-10 2.554223e-10 ] [ 3.7686453e-10 2.3055325e-10 4.876711399999999e-10 ] [ 4.2978963e-10 4.0909536e-10 1.8793009e-10 ] [ 3.4719292e-10 4.6802705e-10 4.1892379e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.36e-05 6.25e-05 0.0001317 ] [ 1.85e-05 -7.49e-05 -1.51e-05 ] [ -3.23e-05 -6.25e-05 -4.76e-05 ] [ -0.0001208 -1.66e-05 9.9e-06 ] [ -6.8e-06 -6.37e-05 -0.0001484 ] [ 3.72e-05 2.69e-05 7.41e-05 ] [ 3.06e-05 0.0001284 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1792019929088e-13 1.001360388e-13 2.1100666095936e-13 ] [ 2.96402674848e-14 -1.2000302889792e-13 -2.419286697408e-14 ] [ -5.175030485184e-14 -1.001360388e-13 -7.626360715008e-14 ] [ -1.9354293579264e-13 -2.659613190528e-14 1.586154854592e-14 ] [ -1.089480102144e-14 -1.0205865074496e-13 -2.3776301052672e-13 ] [ 5.960097029376001e-14 4.309855109952001e-14 1.1872128760128e-13 ] [ 4.902660459647999e-14 2.0571947811072e-13 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382305015138e-18 } }