{ "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" [ [ 0.099853 0.7165901 0.5986145 ] [ 0.2043706 1.471965 2.579922 ] [ 1.736021 0.3195483 2.600696 ] [ 1.725047 2.389347 1.166635 ] [ 1.83697 2.73027 2.853175 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.9853e-12 7.165901e-11 5.986145000000001e-11 ] [ 2.043706e-11 1.471965e-10 2.579922e-10 ] [ 1.736021e-10 3.195483e-11 2.600696e-10 ] [ 1.725047e-10 2.389347e-10 1.166635e-10 ] [ 1.83697e-10 2.73027e-10 2.853175e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9671946 -3.4061887 -4.7140288 ] [ -23.0898585 -2.6090762 11.5845861 ] [ 8.2344949 -17.9587952 -0.0613261 ] [ 10.8006932 4.4107362 -30.5766678 ] [ 7.021865 19.5633239 23.7674366 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.753969817484008e-09 -5.457315901173145e-09 -7.55270673313788e-09 ] [ -3.699403146628015e-08 -4.180200889525705e-09 1.856055301106465e-08 ] [ 1.319311521287683e-08 -2.877316180717526e-08 -9.825524366484288e-11 ] [ 1.730461813347354e-08 7.066778420156233e-09 -4.898922229112817e-08 ] [ 1.125026793741379e-08 3.134390017771788e-08 3.807963125686625e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.4773163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.969098258186759e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3368879 1.4001981 0.9390671 ] [ 0.0566962 -0.2695695 2.346104 ] [ 0.6111869 -1.3466458 4.182867 ] [ 1.5083529 3.2553837 0.7881423 ] [ 3.0891377 4.5883538 1.5428623 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.368879e-11 1.4001981e-10 9.390671e-11 ] [ 5.66962e-12 -2.695695e-11 2.346104e-10 ] [ 6.111869e-11 -1.3466458e-10 4.182867e-10 ] [ 1.5083529e-10 3.2553837e-10 7.881423e-11 ] [ 3.0891377e-10 4.5883538e-10 1.5428623e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0418692 -0.1660589 0.1569531 ] [ -0.0330867 -0.0145058 -0.0652682 ] [ -0.0369302 -0.0673574 0.0243718 ] [ 0.2001949 0.266568 -0.0281891 ] [ -0.0883088 -0.0186459 -0.0878676 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.708185337159937e-11 -2.660556872557651e-10 2.514665873820845e-10 ] [ -5.301073719942335e-11 -2.324085362600064e-11 -1.045711841216986e-10 ] [ -5.916870304146816e-11 -1.079184515178739e-10 3.904792816681344e-11 ] [ 3.20747588383394e-10 4.270890174534144e-10 -4.516391698139328e-11 ] [ -1.41486294770903e-10 -2.987402505377472e-11 -1.407794144458061e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.069861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.773587248970571e-18 } }