{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.924097 1.394529 2.047948 ] [ 0.8517503 3.0229 2.150903 ] [ 3.084941 2.892354 0.5199401 ] [ 2.119748 2.11188 4.047438 ] [ 4.365389 1.647318 4.564937 ] [ 3.247696 3.944508 2.731386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.924097e-10 1.394529e-10 2.047948e-10 ] [ 8.517503e-11 3.0229e-10 2.150903e-10 ] [ 3.084941000000001e-10 2.892354e-10 5.199401e-11 ] [ 2.119748e-10 2.11188e-10 4.047438e-10 ] [ 4.365389e-10 1.647318e-10 4.564937e-10 ] [ 3.247696e-10 3.944508e-10 2.731386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 52.0715087 -147.1343727 41.5026117 ] [ -11.3794355 41.6288493 -56.1588507 ] [ -60.1152301 73.5963801 0.6558197 ] [ -125.0379021 22.0848753 -11.872249 ] [ 125.4659776 -26.0339174 31.3534155 ] [ 18.9950814 35.8581854 -5.4807472 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.342775384892382e-08 -2.357352520560138e-07 6.649451416788055e-08 ] [ -1.823186551600156e-08 6.669676909926644e-08 -8.997639764253772e-08 ] [ -9.631521622023245e-08 1.179143995717304e-07 1.05073899080007e-09 ] [ -2.003328034584992e-07 3.538387087894338e-08 -1.902143978411618e-08 ] [ 2.010186560165365e-07 -4.171093380611832e-08 5.023370929632834e-08 ] [ 3.043347532927294e-08 5.74511463121919e-08 -8.781125028355063e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 60.353609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.669714132070447e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1940314 0.6116313 2.0482634 ] [ 0.419192 3.1007793 1.785236 ] [ 3.0230183 3.0263404 0.6629764 ] [ 1.5822791 2.240112 4.2468463 ] [ 4.6389515 1.7827808 4.2544461 ] [ 3.7361491 4.2518453 3.0647838 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1940314e-10 6.116313e-11 2.0482634e-10 ] [ 4.19192e-11 3.1007793e-10 1.785236e-10 ] [ 3.0230183e-10 3.0263404e-10 6.629764e-11 ] [ 1.5822791e-10 2.240112e-10 4.2468463e-10 ] [ 4.6389515e-10 1.7827808e-10 4.2544461e-10 ] [ 3.7361491e-10 4.2518453e-10 3.0647838e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 -3.4e-06 1.84e-05 ] [ -6.72e-05 -9.7e-06 2.3e-05 ] [ 5.95e-05 -1.3e-05 1.24e-05 ] [ -4.97e-05 2.44e-05 -3.77e-05 ] [ 4.77e-05 6.2e-06 -4.7e-05 ] [ 1.23e-05 -4.6e-06 3.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-15 -5.44740051072e-15 2.948004982272e-14 ] [ -1.0766626891776e-13 -1.554111322176e-14 3.68500622784e-14 ] [ 9.532950893760001e-14 -2.08282960704e-14 1.986699009792e-14 ] [ -7.962817805376001e-14 3.909310954752e-14 -6.040205860416e-14 ] [ 7.642382481215999e-14 9.93349504896e-15 -7.530230117759999e-14 ] [ 1.970677243584e-14 -7.370012455680001e-15 4.950725758272e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }