{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3289228 -1.5174872 -1.6295121 ] [ 1.1074064 4.3176459 1.2585683 ] [ 1.3322923 -2.5017821 -6.1711604 ] [ 1.9385306 -10.776624 7.8451 ] [ -2.0493065 10.4782474 -1.3029957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.731345661808074e-09 -2.431282514203254e-09 -2.610766189930711e-09 ] [ 1.774260643804293e-09 6.917631317872974e-09 2.016448705940001e-09 ] [ 2.13456757513186e-09 -4.008296790955927e-09 -9.887288916086776e-09 ] [ 3.105868406025397e-09 -1.726605502395218e-08 1.256923580783808e-08 ] [ -3.283350963153476e-09 1.678800301123839e-08 -2.087629247542931e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5448274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.048596944745125e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3951049 0.6795248 0.6115626 ] [ 0.9568091 2.1510679 2.5866145 ] [ 2.3029199 0.8476196 0.4177448 ] [ 2.6534532 0.1500846 2.9483883 ] [ 2.267819 3.1057966 1.5496376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.951049e-11 6.795248e-11 6.115626e-11 ] [ 9.568091e-11 2.1510679e-10 2.5866145e-10 ] [ 2.3029199e-10 8.476196000000001e-11 4.177448e-11 ] [ 2.6534532e-10 1.500846e-11 2.9483883e-10 ] [ 2.267819e-10 3.1057966e-10 1.5496376e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.18e-05 0.0 -4.6e-05 ] [ -0.0001219 -6.71e-05 0.0001089 ] [ 5.53e-05 -2.66e-05 5.06e-05 ] [ 3.64e-05 -1.19e-05 -1.71e-05 ] [ 0.000112 0.0001056 -9.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3105804758144e-13 0.0 -7.37001245568e-14 ] [ -1.9530533007552e-13 -1.0750605125568e-13 1.7447703400512e-13 ] [ 8.860036713024e-14 -4.261789811328e-14 8.107013701248e-14 ] [ 5.831922899712e-14 -1.906590178752e-14 -2.739722021568e-14 ] [ 1.794437815296e-13 1.6918985115648e-13 -1.5444982624512e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.088346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.77654887245412e-18 } }