{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6407873 -11.1217052 -6.3578565 ] [ -0.2504874 0.0641111 -0.6944577 ] [ -5.500806 0.4388608 -7.2710252 ] [ -2.6048698 -5.3468477 18.4799355 ] [ 0.6946625 15.0217444 -6.2694066 ] [ 2.3338769 4.1470694 -1.8482077 ] [ 7.968411 -3.2032327 3.9610181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.231007672565556e-09 -1.781893605486979e-08 -1.018640904270132e-08 ] [ -4.01325056084978e-10 1.027173055537709e-10 -1.11264389107454e-09 ] [ -8.813262768756365e-09 7.031325135455846e-10 -1.164946658468764e-08 ] [ -4.173461493787971e-09 -8.566594379918251e-09 2.960812061199196e-08 ] [ 1.11297201684648e-09 2.406748768131332e-08 -1.004469668080922e-08 ] [ 3.739283005005179e-09 6.644337637515084e-09 -2.96115516732254e-09 ] [ 1.276680180912555e-08 -5.132144542922061e-09 6.346250594385636e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4849405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.519654991877906e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3075144 0.3767874 2.8528732 ] [ 2.9788129 2.9362979 0.2639563 ] [ 1.2203181 2.4594623 2.018385 ] [ 2.9459059 2.8033772 5.5747187 ] [ 2.1868281 4.1262723 3.5565152 ] [ 4.2632281 3.6134153 2.3354733 ] [ 4.2663454 1.6125207 3.7758318 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3075144e-10 3.767874e-11 2.8528732e-10 ] [ 2.9788129e-10 2.9362979e-10 2.639563e-11 ] [ 1.2203181e-10 2.4594623e-10 2.018385e-10 ] [ 2.9459059e-10 2.8033772e-10 5.5747187e-10 ] [ 2.1868281e-10 4.1262723e-10 3.556515200000001e-10 ] [ 4.2632281e-10 3.613415300000001e-10 2.3354733e-10 ] [ 4.2663454e-10 1.6125207e-10 3.775831800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 -2.03e-05 1.39e-05 ] [ 8.8e-06 -1e-05 1.12e-05 ] [ 1.69e-05 2.1e-05 2.55e-05 ] [ -1.81e-05 -1.12e-05 -1.2e-05 ] [ -6.7e-06 5.9e-06 -2.1e-06 ] [ 3.3e-06 2.8e-05 -2.22e-05 ] [ -6.8e-06 -1.33e-05 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 -3.252418540224e-14 2.227025502912e-14 ] [ 1.409915426304e-14 -1.6021766208e-14 1.794437815296e-14 ] [ 2.707678489152e-14 3.36457090368e-14 4.08555038304e-14 ] [ -2.899939683648e-14 -1.794437815296e-14 -1.92261194496e-14 ] [ -1.073458335936e-14 9.45284206272e-15 -3.36457090368e-15 ] [ 5.28718284864e-15 4.48609453824e-14 -3.556832098176e-14 ] [ -1.089480102144e-14 -2.130894905664e-14 -2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }