{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7586772 0.2275366 -4.1706415 ] [ 1.404425 0.052266 3.5089216 ] [ -2.7328436 1.9580111 -2.3411524 ] [ -0.2225348 0.648267 -0.8387719 ] [ 0.2697101 -1.0551755 -1.0469005 ] [ 1.0988622 -0.5022005 2.5978562 ] [ 0.9410583 -1.3287048 2.2906886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.215534872574006e-09 3.645538208963213e-10 -6.682104305038245e-09 ] [ 2.25013690066704e-09 8.37393632627328e-11 5.621912151740129e-09 ] [ -4.378498124222907e-09 3.137079607686891e-09 -3.75093964100981e-09 ] [ -3.565400538744038e-10 1.038638231436154e-09 -1.343860728363996e-09 ] [ 4.321232166136301e-10 -1.690577516940951e-09 -1.677319505403831e-09 ] [ 1.760571326320854e-09 -8.046139000540705e-10 4.162224467840329e-09 ] [ 1.507741607069793e-09 -2.12881976650474e-09 3.670087720453083e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.523355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.127986294057878e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4575967 1.8573529 1.4467815 ] [ 2.0398067 1.7015273 3.8186193 ] [ 2.479653 3.8482137 2.3238105 ] [ 3.4800061 0.628191 1.8667116 ] [ 4.7140845 2.762995 2.1937818 ] [ 4.4702688 1.1159567 4.0763034 ] [ 3.7446693 3.4515796 4.4078639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4575967e-10 1.8573529e-10 1.4467815e-10 ] [ 2.0398067e-10 1.7015273e-10 3.8186193e-10 ] [ 2.479653e-10 3.8482137e-10 2.3238105e-10 ] [ 3.4800061e-10 6.28191e-11 1.8667116e-10 ] [ 4.714084500000001e-10 2.762995e-10 2.1937818e-10 ] [ 4.470268800000001e-10 1.1159567e-10 4.0763034e-10 ] [ 3.7446693e-10 3.4515796e-10 4.4078639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.55e-05 -2.96e-05 5.86e-05 ] [ -2.44e-05 2.7e-06 -8.6e-06 ] [ 3.1e-05 1.9e-05 2.4e-06 ] [ 1.53e-05 2.41e-05 -4.44e-05 ] [ 2.77e-05 -4.8e-06 -1.13e-05 ] [ -3.1e-06 -4.4e-06 2.5e-05 ] [ -3.09e-05 -6.9e-06 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.48337376224e-14 -4.742442797568e-14 9.388754997888e-14 ] [ -3.909310954752e-14 4.32587687616e-15 -1.377871893888e-14 ] [ 4.96674752448e-14 3.04413557952e-14 3.84522388992e-15 ] [ 2.451330229824e-14 3.861245656128e-14 -7.113664196352e-14 ] [ 4.438029239616e-14 -7.69044777984e-15 -1.810459581504e-14 ] [ -4.96674752448e-15 -7.04957713152e-15 4.005441552e-14 ] [ -4.950725758272e-14 -1.105501868352e-14 -3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.602861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.461159883659211e-18 } }