{ "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" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.805401 -15.2853633 -3.3144379 ] [ -2.2460113 16.1175475 3.0281656 ] [ -5.1396123 0.6710413 -0.1358013 ] [ 3.3777797 -6.1041868 -10.1675886 ] [ -2.0342976 -2.6780044 9.9136168 ] [ 6.8475424 7.2789657 0.6760455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.290394652568941e-09 -2.448985171969434e-08 -5.310314914473448e-09 ] [ -3.598506794912616e-09 2.582315778913349e-08 4.851656128230804e-09 ] [ -8.234566667036116e-09 1.075126682451239e-09 -2.175776679342471e-10 ] [ 5.411799665552837e-09 -9.779985379955965e-09 -1.62902727448326e-08 ] [ -3.25930405446955e-09 -4.290636040079532e-09 1.588336506453011e-08 ] [ 1.097097234321672e-08 1.166218866814511e-08 1.083144294697046e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5073454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042591666335042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4812845 0.72105 -0.4770624 ] [ -0.2971342 2.5836602 0.6542163 ] [ 0.7526485 2.8032238 2.7174863 ] [ 2.0689776 -0.3079517 0.8553997 ] [ 2.3535009 0.8468406 2.8536062 ] [ 3.1873487 3.1857012 3.1219258 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.812845e-11 7.2105e-11 -4.770624e-11 ] [ -2.971342e-11 2.5836602e-10 6.542163e-11 ] [ 7.526485e-11 2.8032238e-10 2.7174863e-10 ] [ 2.0689776e-10 -3.079517e-11 8.553997e-11 ] [ 2.3535009e-10 8.468406e-11 2.8536062e-10 ] [ 3.1873487e-10 3.1857012e-10 3.1219258e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.46e-05 -4.8e-05 5.11e-05 ] [ 1.91e-05 2.01e-05 8.6e-06 ] [ 6.5e-05 1.3e-06 -3e-07 ] [ -1.05e-05 1.16e-05 -4.99e-05 ] [ -2.69e-05 1.93e-05 -2.04e-05 ] [ -6.13e-05 -4.4e-06 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.339177866368e-14 -7.69044777984e-14 8.187122532288001e-14 ] [ 3.060157345728e-14 3.220375007808e-14 1.377871893888e-14 ] [ 1.04141480352e-13 2.08282960704e-15 -4.8065298624e-16 ] [ -1.68228545184e-14 1.858524880128e-14 -7.994861337792e-14 ] [ -4.309855109952001e-14 3.092200878144e-14 -3.268440306432e-14 ] [ -9.821342685504e-14 -7.04957713152e-15 1.746372516672e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.74192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.361915956970394e-18 } }