{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7073828 -0.3109335 -1.2046494 ] [ -1.5049118 1.6010603 -0.7195244 ] [ -1.3299421 -1.3151783 0.1379919 ] [ 0.8312573 0.3355101 0.4801862 ] [ 1.1458137 0.6348088 0.0814818 ] [ -2.3882591 -0.177629 0.7825354 ] [ 1.5386592 -0.7676385 0.4419785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.735528827453495e-09 -4.981703884278388e-10 -1.93006112084212e-09 ] [ -2.41113452219088e-09 2.56518140228503e-09 -1.152805181272869e-09 ] [ -2.130802157192891e-09 -2.107147941803842e-09 2.210873978612646e-10 ] [ 1.331821022901928e-09 5.375464426910033e-10 7.693431096092507e-10 ] [ 1.835795937057085e-09 1.017075826417579e-09 1.305482360562612e-10 ] [ -3.826412925957869e-09 -2.84593033320786e-10 1.253759933157843e-09 ] [ 2.465203817929132e-09 -1.229892468058809e-09 7.081276254303689e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.179471005765542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912672366391803e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5738463 2.394215 3.8382156 ] [ 1.4967212 5.3052673 2.7933212 ] [ 1.1010164 3.1124982 2.2411299 ] [ 2.7923521 3.3114574 0.7018056 ] [ 3.031697 4.5566653 4.4578141 ] [ 4.3273365 2.5628644 2.366299 ] [ 3.7916679 4.9006353 2.2033046 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5738463e-10 2.394215e-10 3.8382156e-10 ] [ 1.4967212e-10 5.305267299999999e-10 2.7933212e-10 ] [ 1.1010164e-10 3.1124982e-10 2.2411299e-10 ] [ 2.7923521e-10 3.3114574e-10 7.018056000000001e-11 ] [ 3.031697e-10 4.5566653e-10 4.457814100000001e-10 ] [ 4.3273365e-10 2.5628644e-10 2.366299e-10 ] [ 3.7916679e-10 4.900635300000001e-10 2.2033046e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 1.39e-05 1.89e-05 ] [ -1.03e-05 -2.23e-05 -3.76e-05 ] [ 5.85e-05 3.33e-05 2.44e-05 ] [ -1.03e-05 1.66e-05 -7e-06 ] [ -1.2e-06 -2.96e-05 -5e-06 ] [ -1.76e-05 -2.1e-06 -5.1e-06 ] [ -1.89e-05 -9.7e-06 1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.204353268e-16 2.22702552126e-14 3.02811383826e-14 ] [ -1.65024193302e-14 -3.572853893819999e-14 -6.024184143839999e-14 ] [ 9.372733308899998e-14 5.33524819122e-14 3.909310986959999e-14 ] [ -1.65024193302e-14 2.65961321244e-14 -1.1215236438e-14 ] [ -1.9226119608e-15 -4.74244283664e-14 -8.010883169999999e-15 ] [ -2.81983087584e-14 -3.364570931399999e-15 -8.1711008334e-15 ] [ -3.02811383826e-14 -1.55411133498e-14 1.82648136276e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }