{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.9688893 22.7255726 -45.731945 ] [ 2.7141078 -14.8875231 56.4491201 ] [ 24.3173526 -12.1062305 -12.9897631 ] [ -37.6100259 39.2825293 -43.4771419 ] [ 48.5474548 -35.0143483 45.7497298 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08328672553926e-08 3.641038141399063e-08 -7.327065370637313e-08 ] [ 4.348480099317145e-09 -2.385244164895524e-08 9.044146123407973e-08 ] [ 3.896069413645914e-08 -1.939631963291814e-08 -2.08118949200154e-08 ] [ -6.025790470111481e-08 6.293755056888036e-08 -6.965806086528236e-08 ] [ 7.778159772073113e-08 -5.609917070099762e-08 7.329914809737349e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 33.061679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.297064957460848e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0318547 0.9815442 0.8996871 ] [ 0.3731388 0.4146733 3.2498224 ] [ 1.9954663 -0.3008455 0.3957579 ] [ 1.4508194 2.8996647 1.2616134 ] [ 2.5781403 1.0274476 2.3717708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.18547e-12 9.815442e-11 8.996871e-11 ] [ 3.731388e-11 4.146733e-11 3.2498224e-10 ] [ 1.9954663e-10 -3.008455e-11 3.957579e-11 ] [ 1.4508194e-10 2.8996647e-10 1.2616134e-10 ] [ 2.5781403e-10 1.0274476e-10 2.3717708e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.7e-06 1.9e-06 5.7e-06 ] [ 1.1e-06 -3.4e-06 -1.4e-06 ] [ -2e-06 5.1e-06 3.4e-06 ] [ 1.8e-06 -4.7e-06 -3.6e-06 ] [ -9.6e-06 1.1e-06 -4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.39389367158e-14 3.0441356046e-15 9.1324068138e-15 ] [ 1.7623942974e-15 -5.4474005556e-15 -2.2430472876e-15 ] [ -3.204353268e-15 8.1711008334e-15 5.4474005556e-15 ] [ 2.8839179412e-15 -7.530230179799999e-15 -5.767835882399999e-15 ] [ -1.53808956864e-14 1.7623942974e-15 -6.729141862799999e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.951916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754690391273074e-18 } }