{ "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" [ [ 2.264039 2.962814 1.145416 ] [ 2.607686 1.947625 3.138097 ] [ 3.569117 1.227918 0.4731936 ] [ 5.155867 2.512325 3.932817 ] [ 4.543954 3.206398 1.939601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.264039e-10 2.962814e-10 1.145416e-10 ] [ 2.607686e-10 1.947625e-10 3.138097e-10 ] [ 3.569117e-10 1.227918e-10 4.731936e-11 ] [ 5.155867e-10 2.512325e-10 3.932817e-10 ] [ 4.543954e-10 3.206398e-10 1.939601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9495895 3.0787676 -2.8628158 ] [ -3.2968505 -4.3118919 6.0212574 ] [ 0.9704204 -3.1348675 -1.6067037 ] [ -0.8872882 -0.5460287 0.5777884 ] [ 8.1633078 4.9140205 -2.1295263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.930116579457161e-09 4.932729469596526e-09 -4.586736544416849e-09 ] [ -5.282136793372791e-09 -6.908412393596891e-09 9.647117834098994e-09 ] [ 1.554784877227384e-09 -5.022611417805743e-09 -2.574223104692857e-09 ] [ -1.421592409951715e-09 -8.74834417425817e-10 9.257190662494388e-10 ] [ 1.307906090555428e-08 7.873128759231927e-09 -3.411877251238727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7665553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.23904008421033e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6038027 2.7244224 1.0335796 ] [ 1.3041592 1.3866402 2.7644328 ] [ 3.4631865 1.5550186 0.8090989 ] [ 5.8644665 3.0103616 3.9400186 ] [ 5.9050481 3.1806372 2.0819947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6038027e-10 2.7244224e-10 1.0335796e-10 ] [ 1.3041592e-10 1.3866402e-10 2.7644328e-10 ] [ 3.4631865e-10 1.5550186e-10 8.090989e-11 ] [ 5.8644665e-10 3.0103616e-10 3.9400186e-10 ] [ 5.9050481e-10 3.1806372e-10 2.0819947e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001174 6.72e-05 6.81e-05 ] [ -3.94e-05 -1.5e-05 -0.0001018 ] [ 3.39e-05 -0.0001151 7.7e-06 ] [ 5.71e-05 4.47e-05 -5.8e-05 ] [ 6.58e-05 1.82e-05 8.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.8809553528192e-13 1.0766626891776e-13 1.0910822787648e-13 ] [ -6.312575885952001e-14 -2.4032649312e-14 -1.6310157999744e-13 ] [ 5.431378744512e-14 -1.8441052905408e-13 1.233675998016e-14 ] [ 9.148428504768e-14 7.161729494976001e-14 -9.29262440064e-14 ] [ 1.0542322164864e-13 2.915961449856e-14 1.345828361472e-13 ] ] } "relaxed-potential-energy" { "source-value" -19.135303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.06581350985241e-18 } }