{ "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" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.6488136 -168.7968858 -10.7780463 ] [ -10.2609095 169.6541306 16.068611 ] [ -3.4128935 -3.7618437 -3.2407589 ] [ 10.2436593 -3.3699141 -35.1948336 ] [ -9.3773525 7.0865751 37.0725996 ] [ 4.1586826 -0.8120621 -3.9275719 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.385692694757708e-08 -2.704424240926075e-07 -1.726833379975994e-08 ] [ -1.643978930904462e-08 2.718158816694699e-07 2.574475287292971e-08 ] [ -5.468058174980285e-09 -6.027138027243768e-09 -5.192268143229525e-09 ] [ 1.641215144190049e-08 -5.399197585124274e-09 -5.638833956686631e-08 ] [ -1.502417494050043e-08 1.135394494676342e-08 5.939685235139942e-08 ] [ 6.662944035047758e-09 -1.301066911257752e-09 -6.292663874691035e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7588154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.420109534983e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2957413 0.6973425 1.0898679 ] [ 1.0612796 2.6922437 0.52525 ] [ 0.4064 2.3066914 2.6005704 ] [ 2.4424747 0.9708158 0.6412872 ] [ 1.7875969 0.5852646 2.716607 ] [ 2.5531335 2.5801661 2.1519893 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.957413e-11 6.973425e-11 1.0898679e-10 ] [ 1.0612796e-10 2.6922437e-10 5.2525e-11 ] [ 4.064e-11 2.3066914e-10 2.6005704e-10 ] [ 2.4424747e-10 9.708158000000001e-11 6.412872e-11 ] [ 1.7875969e-10 5.852646e-11 2.716607e-10 ] [ 2.5531335e-10 2.5801661e-10 2.1519893e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.67e-05 -3.08e-05 -1.77e-05 ] [ 1.17e-05 -2.34e-05 -4.83e-05 ] [ 7.74e-05 -2.2e-05 3.29e-05 ] [ -3.26e-05 5.11e-05 -7.41e-05 ] [ -7.93e-05 7e-06 7.54e-05 ] [ -3.9e-06 1.81e-05 3.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.277811577536e-14 -4.934703992064001e-14 -2.835852618816e-14 ] [ 1.874546646336e-14 -3.749093292672001e-14 -7.738513078464e-14 ] [ 1.2400847044992e-13 -3.52478856576e-14 5.271161082432e-14 ] [ -5.223095783807999e-14 8.187122532288001e-14 -1.1872128760128e-13 ] [ -1.2705260602944e-13 1.12152363456e-14 1.2080411720832e-13 ] [ -6.24848882112e-15 2.899939683648e-14 5.078899887936e-14 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }