{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.1120932 -1.7707218 -1.8712667 ] [ -2.8203705 -4.5023581 2.6237829 ] [ 3.5215693 1.8759834 -1.5963284 ] [ -1.7123228 2.5548323 -2.0143655 ] [ 7.1232172 1.8422643 2.8581776 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.792652909870289e-09 -2.837009093274421e-09 -2.998099782722287e-09 ] [ -4.518731714322897e-09 -7.213572945720635e-09 4.203763655068758e-09 ] [ 5.642176047471736e-09 3.005656769251876e-09 -2.557600062670605e-09 ] [ -2.743443580025455e-09 4.093292614848478e-09 -3.227369336435726e-09 ] [ 1.14126521567469e-08 2.951632815112366e-09 4.579305366542198e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8673153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.26048287459707e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8529332 2.0468643 1.9345127 ] [ 2.0836398 0.6923819 4.0091148 ] [ 3.9395734 3.0705166 1.0390466 ] [ 4.376171 0.5072415 4.9650392 ] [ 3.9864766 2.4605465 3.4596326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8529332e-10 2.0468643e-10 1.9345127e-10 ] [ 2.0836398e-10 6.923819e-11 4.0091148e-10 ] [ 3.9395734e-10 3.0705166e-10 1.0390466e-10 ] [ 4.376171e-10 5.072415e-11 4.9650392e-10 ] [ 3.9864766e-10 2.4605465e-10 3.4596326e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.46e-05 3.8e-06 -3.3e-06 ] [ -1.13e-05 -2.1e-06 -1.17e-05 ] [ -2.59e-05 2.1e-06 -1e-07 ] [ -1e-07 6.2e-06 1.25e-05 ] [ 2.27e-05 -9.9e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.33917788564e-14 6.088271209199999e-15 -5.2871828922e-15 ] [ -1.81045959642e-14 -3.364570931399999e-15 -1.87454666178e-14 ] [ -4.149637482059999e-14 3.364570931399999e-15 -1.602176634e-16 ] [ -1.602176634e-16 9.9334951308e-15 2.0027207925e-14 ] [ 3.636940959179999e-14 -1.58615486766e-14 4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.346148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657635657750583e-18 } }