{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6826975 0.4172937 0.7763199 ] [ -0.5796306 1.0304523 -0.1069382 ] [ 0.4323815 0.1720928 -0.087734 ] [ -0.1616506 0.4607729 1.8381232 ] [ -0.1539351 -0.2480154 1.2165883 ] [ 1.7233657 -0.9161178 -3.667631 ] [ -0.5778334 -0.9164786 0.0312718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.093801982590215e-09 6.685782156554057e-10 1.243801604289217e-09 ] [ -9.286706036714002e-10 1.650966597511558e-09 -1.713338853220188e-10 ] [ 6.927515362738709e-10 2.757230630396352e-10 -1.40565364807356e-10 ] [ -2.589928141920804e-10 7.382395739604185e-10 2.944998041453309e-09 ] [ -2.466312203724534e-10 -3.973644787521635e-10 1.949189347457782e-09 ] [ 2.761136256377054e-09 -1.467782533151485e-09 -5.876192690334054e-09 ] [ -9.257911718247756e-10 -1.468360598481032e-09 5.01029472631212e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -18.773937005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.007916319882547e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7597383 2.8104442 1.3696562 ] [ 2.0391334 2.8532555 3.7376103 ] [ 3.549546 1.5651647 2.3818294 ] [ 5.1785001 3.0350966 3.3639073 ] [ 3.2368326 4.5606294 1.2123197 ] [ 4.8991103 2.9922775 0.9959529 ] [ 3.5049063 4.6017131 3.4843831 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7597383e-10 2.8104442e-10 1.3696562e-10 ] [ 2.0391334e-10 2.8532555e-10 3.7376103e-10 ] [ 3.549546e-10 1.5651647e-10 2.3818294e-10 ] [ 5.1785001e-10 3.0350966e-10 3.3639073e-10 ] [ 3.2368326e-10 4.5606294e-10 1.2123197e-10 ] [ 4.899110300000001e-10 2.9922775e-10 9.959529e-11 ] [ 3.5049063e-10 4.6017131e-10 3.4843831e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -9e-07 -1.94e-05 ] [ 5.4e-06 1.98e-05 -3.6e-06 ] [ 5e-06 -2.8e-06 1.45e-05 ] [ -8.5e-06 1.25e-05 -1e-07 ] [ -4e-06 -6.3e-06 7.4e-06 ] [ -2.9e-06 -3e-07 -1.66e-05 ] [ 5.7e-06 -2.2e-05 1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1215236438e-15 -1.4419589706e-15 -3.10822266996e-14 ] [ 8.6517538236e-15 3.17230973532e-14 -5.767835882399999e-15 ] [ 8.010883169999999e-15 -4.486094575199999e-15 2.3231561193e-14 ] [ -1.3618501389e-14 2.0027207925e-14 -1.602176634e-16 ] [ -6.408706535999999e-15 -1.00937127942e-14 1.18561070916e-14 ] [ -4.6463122386e-15 -4.806529901999999e-16 -2.65961321244e-14 ] [ 9.1324068138e-15 -3.5247885948e-14 2.851874408519999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }