{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6911546 -1.336939 -0.9886322 ] [ -2.8529557 -4.787366 -0.1518352 ] [ -6.4329929 2.9785139 4.2970024 ] [ -0.8431251 1.4182875 -0.1358258 ] [ 1.0611107 -0.680439 -2.8861899 ] [ 7.7130914 -2.6720036 2.9847736 ] [ 2.0460262 5.0799463 -3.119293 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.107351750601616e-09 -2.142012426883326e-09 -1.583963410460015e-09 ] [ -4.570938960377113e-09 -7.670205943606043e-09 -2.432668096587168e-10 ] [ -1.03067909110679e-08 4.772105374624212e-09 6.884556841521922e-09 ] [ -1.350835334758913e-09 2.272347092794274e-09 -2.176169230543572e-10 ] [ 1.700086769627384e-09 -1.090183466662326e-09 -4.624186019066796e-09 ] [ 1.235773481698635e-08 -4.281021733883882e-09 4.782134519700062e-09 ] [ 3.27809537019181e-09 8.138971263834752e-09 -4.997658359199762e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.705757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.875469034868194e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1256518 4.2765203 1.7373628 ] [ 2.8435914 -0.1560445 5.0047327 ] [ 1.2296632 1.1616457 4.0328596 ] [ 1.7521937 2.9703942 2.7009038 ] [ 5.0679629 0.3077155 4.6650677 ] [ 5.6380869 2.099896 3.3454748 ] [ 3.997335 3.3958317 2.3893905 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256518e-11 4.2765203e-10 1.7373628e-10 ] [ 2.8435914e-10 -1.560445e-11 5.0047327e-10 ] [ 1.2296632e-10 1.1616457e-10 4.0328596e-10 ] [ 1.7521937e-10 2.9703942e-10 2.7009038e-10 ] [ 5.067962900000001e-10 3.077155e-11 4.6650677e-10 ] [ 5.6380869e-10 2.099896e-10 3.3454748e-10 ] [ 3.997335e-10 3.3958317e-10 2.3893905e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.66e-05 3.3e-06 1e-07 ] [ 1.4e-06 6.9e-06 2.7e-05 ] [ 2.27e-05 3.3e-06 -3.4e-05 ] [ -6.07e-05 -2.93e-05 1.95e-05 ] [ -6.8e-06 1.24e-05 -1.12e-05 ] [ -6.4e-06 -1.61e-05 -1.44e-05 ] [ 2.33e-05 1.95e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.26178984644e-14 5.2871828922e-15 1.602176634e-16 ] [ 2.2430472876e-15 1.10550187746e-14 4.325876911799999e-14 ] [ 3.636940959179999e-14 5.2871828922e-15 -5.447400555599999e-14 ] [ -9.725212168379999e-14 -4.69437753762e-14 3.1242444363e-14 ] [ -1.08948011112e-14 1.98669902616e-14 -1.79443783008e-14 ] [ -1.02539304576e-14 -2.579504380739999e-14 -2.30713435296e-14 ] [ 3.733071557219999e-14 3.1242444363e-14 2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.418821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.951020463202852e-18 } }