{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1730233 8.7542741 -0.1111572 ] [ 5.4639804 -2.7676907 -4.9673544 ] [ -11.6335119 -14.4577417 -4.0337915 ] [ 4.7074285 -5.0335694 1.5867928 ] [ 0.9865638 3.0872515 -10.5699929 ] [ 13.282242 11.0905047 7.0204486 ] [ -3.6336794 -0.6730285 11.0750546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.469680347331367e-08 1.402589329509496e-08 -1.780934670735898e-10 ] [ 8.754261653389432e-09 -4.434329333145587e-09 -7.95857908690801e-09 ] [ -1.863894078397859e-08 -2.316385574130525e-08 -6.462846434481764e-09 ] [ 7.542131886787612e-09 -8.064667211854285e-09 2.54232232621377e-09 ] [ 1.580649455287607e-09 4.946322175829731e-09 -1.693499550640199e-08 ] [ 2.128049760420783e-08 1.776894734321252e-08 1.124799861444809e-08 ] [ -5.821796182162572e-09 -1.078310527832093e-09 1.77441935542035e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.2235066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.562450290714497e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9437041 5.8678372 2.3619194 ] [ 5.7964505 3.7024067 0.9026744 ] [ 3.2937621 2.4922876 2.9305872 ] [ 5.7697174 2.5835278 3.0455261 ] [ 3.3936492 3.9663956 0.9383746 ] [ 5.5966012 4.3238544 4.7145698 ] [ 3.2146556 4.5230006 4.3525036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9437041e-10 5.8678372e-10 2.3619194e-10 ] [ 5.7964505e-10 3.7024067e-10 9.026744e-11 ] [ 3.2937621e-10 2.4922876e-10 2.9305872e-10 ] [ 5.7697174e-10 2.5835278e-10 3.0455261e-10 ] [ 3.3936492e-10 3.9663956e-10 9.383746e-11 ] [ 5.5966012e-10 4.3238544e-10 4.714569799999999e-10 ] [ 3.2146556e-10 4.5230006e-10 4.352503600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 8e-06 1.05e-05 ] [ 4e-07 3.3e-06 4e-07 ] [ 4e-06 -2.6e-06 1.57e-05 ] [ 3.7e-06 -8.5e-06 -6e-06 ] [ 4e-06 -2.2e-06 -7e-07 ] [ -5.9e-06 1.8e-06 -7.9e-06 ] [ -9.9e-06 2e-07 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.928053496960001e-15 1.28174129664e-14 1.68228545184e-14 ] [ 6.408706483200001e-16 5.28718284864e-15 6.408706483200001e-16 ] [ 6.4087064832e-15 -4.16565921408e-15 2.515417294656e-14 ] [ 5.928053496960001e-15 -1.36185012768e-14 -9.6130597248e-15 ] [ 6.4087064832e-15 -3.52478856576e-15 -1.12152363456e-15 ] [ -9.45284206272e-15 2.88391791744e-15 -1.265719530432e-14 ] [ -1.586154854592e-14 3.2043532416e-16 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }