{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.9120268 -2.3933695 -11.0812871 ] [ -6.0691475 -6.8033949 6.7215182 ] [ 11.3598164 -10.7151824 -0.2274652 ] [ 2.4945159 6.6006092 15.4291193 ] [ 6.6574019 1.2450664 -1.3906679 ] [ -2.542361 8.4616727 -10.7925061 ] [ 0.0118012 3.6045986 1.3412888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.908517084530304e-08 -3.834600657835785e-09 -1.775417911999263e-08 ] [ -9.723846232686767e-09 -1.090024025084995e-08 1.07690593163217e-08 ] [ 1.820043225266042e-08 -1.716761472888764e-08 -3.644394254855962e-10 ] [ 3.996655055193871e-09 1.057534174327739e-08 2.472017422199406e-08 ] [ 1.06663336794495e-08 1.994816277423621e-09 -2.228095596677032e-09 ] [ -4.073311355833709e-09 1.355709417280161e-08 -1.729150095326139e-08 ] [ 1.890760673738496e-11 5.775203604288411e-09 2.148981557100887e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6472616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.445733886261602e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.477738 1.4921336 1.5829832 ] [ 1.4778614 1.6256956 3.7567219 ] [ 4.6644489 1.4201874 2.6769376 ] [ 3.5565668 2.4914911 4.5765486 ] [ 5.3737748 3.5094403 1.7238407 ] [ 2.8624758 3.8058505 1.0901419 ] [ 3.6984662 4.5802592 3.4098772 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.477738e-10 1.4921336e-10 1.5829832e-10 ] [ 1.4778614e-10 1.6256956e-10 3.7567219e-10 ] [ 4.664448900000001e-10 1.4201874e-10 2.6769376e-10 ] [ 3.5565668e-10 2.4914911e-10 4.5765486e-10 ] [ 5.3737748e-10 3.5094403e-10 1.7238407e-10 ] [ 2.8624758e-10 3.8058505e-10 1.0901419e-10 ] [ 3.6984662e-10 4.5802592e-10 3.4098772e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-06 -1e-06 2.7e-06 ] [ 5.7e-06 -1.3e-05 5.5e-06 ] [ 4.6e-06 -7.4e-06 -7.4e-06 ] [ -1.5e-05 1.01e-05 -1.43e-05 ] [ -1.6e-06 -9.3e-06 -2.7e-06 ] [ 6.3e-06 -4e-07 4e-07 ] [ 3.1e-06 2.09e-05 1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-15 -1.6021766208e-15 4.32587687616e-15 ] [ 9.13240673856e-15 -2.08282960704e-14 8.8119714144e-15 ] [ 7.370012455680001e-15 -1.185610699392e-14 -1.185610699392e-14 ] [ -2.4032649312e-14 1.618198387008e-14 -2.291112567744e-14 ] [ -2.56348259328e-15 -1.490024257344e-14 -4.32587687616e-15 ] [ 1.009371271104e-14 -6.408706483200001e-16 6.408706483200001e-16 ] [ 4.96674752448e-15 3.348549137472e-14 2.515417294656e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }