{ "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" [ [ -2.4338429 -1.1619961 -4.2974896 ] [ 0.0 0.0 0.0 ] [ 4.0373051 0.5403788 -0.0768044 ] [ -3.3952169 -1.5312487 9.370162 ] [ -0.2942833 1.2250666 -6.6049793 ] [ -1.6742537 -0.2885022 4.4362947 ] [ 3.7602918 1.2163016 -2.8271834 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.899446193080072e-09 -1.861722984880779e-09 -6.885337365251143e-09 ] [ 0.0 0.0 0.0 ] [ 6.468475842256607e-09 8.657822797359591e-10 -1.230542140545715e-10 ] [ -5.439737139725052e-09 -2.453330867770393e-09 1.501265448950857e-08 ] [ -4.714938231518727e-10 1.962773065442945e-09 -1.058234341532795e-08 ] [ -2.682450135427897e-09 -4.622314798893657e-10 7.10772765131895e-09 ] [ 6.02465160934595e-09 1.948729987361633e-09 -4.529647146193855e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3189853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.172630713563887e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2066431 0.173775 2.1420841 ] [ 0.4169414 2.8285253 0.3597778 ] [ 1.4180239 1.0703876 1.2254339 ] [ 1.4600526 4.9389442 4.9877449 ] [ 3.5906177 4.6070542 4.5477119 ] [ 5.1545726 3.1581955 3.9919381 ] [ 4.9221017 1.1512511 3.1230629 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2066431e-10 1.73775e-11 2.1420841e-10 ] [ 4.169414000000001e-11 2.8285253e-10 3.597778e-11 ] [ 1.4180239e-10 1.0703876e-10 1.2254339e-10 ] [ 1.4600526e-10 4.9389442e-10 4.987744900000001e-10 ] [ 3.5906177e-10 4.6070542e-10 4.547711900000001e-10 ] [ 5.1545726e-10 3.1581955e-10 3.9919381e-10 ] [ 4.9221017e-10 1.1512511e-10 3.1230629e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4458412 0.2325253 0.1848497 ] [ -0.0640665 -0.0433704 -0.0116466 ] [ -0.1803475 -0.049824 -0.1548908 ] [ 0.0296123 0.0914789 0.0124421 ] [ 0.1894995 -0.047096 0.0463713 ] [ -0.218947 0.3521084 0.1873647 ] [ -0.2015921 -0.5358222 -0.2644905 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.14316347229417e-10 3.725465994045062e-10 2.961618677018938e-10 ] [ -1.026458484764832e-10 -6.948704091474433e-11 -1.865991023180928e-11 ] [ -2.88948548119728e-10 -7.98268479547392e-11 -2.481624185370086e-10 ] [ 4.744413474811584e-11 1.465653548765011e-10 1.993444173365568e-11 ] [ 3.036116685532896e-10 -7.545611013319679e-11 7.429501273610303e-11 ] [ -3.507917645942976e-10 5.641398464672948e-10 3.001913419032057e-10 ] [ -3.229861495579757e-10 -8.584818017456219e-10 -4.237604955237024e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.210759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.597249907522319e-18 } }