{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4496601 2.0219137 1.6709218 ] [ 4.4906529 -2.3752629 -0.3926851 ] [ -8.3650642 -4.6245849 2.6996151 ] [ 4.7069471 10.6082136 -0.3570296 ] [ -5.113775 12.4539441 -1.3992596 ] [ 1.9040966 -17.5871092 -1.9203257 ] [ -0.0725175 -0.4971144 -0.3012369 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.92478814112659e-09 3.239462859415225e-09 2.677111843145053e-09 ] [ 7.19481908850772e-09 -3.805590686633609e-09 -6.291508865565102e-10 ] [ -1.340231029273106e-08 -7.409401807684707e-09 4.325260198378654e-09 ] [ 7.541360598962358e-09 1.69962318183726e-08 -5.720244780535757e-10 ] [ -8.193170749031522e-09 1.99534180737701e-08 -2.24186101754996e-09 ] [ 3.050699056264769e-09 -2.817765518769659e-08 -3.076700940861394e-09 ] [ -1.16185843098864e-10 -7.964650695430196e-10 -4.826347185022674e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4599795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.747851504947275e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.3935819 1.7953952 0.6567336 ] [ 1.4718661 4.722009 1.8111286 ] [ 3.4664086 3.8770957 1.4220899 ] [ 3.5913491 1.0216902 2.7165931 ] [ 6.8887813 1.0640703 5.299449 ] [ 4.8967648 1.4189382 4.4399416 ] [ 5.3218322 4.4587053 2.467957 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3935819e-10 1.7953952e-10 6.567336e-11 ] [ 1.4718661e-10 4.722009e-10 1.8111286e-10 ] [ 3.4664086e-10 3.8770957e-10 1.4220899e-10 ] [ 3.5913491e-10 1.0216902e-10 2.7165931e-10 ] [ 6.8887813e-10 1.0640703e-10 5.299449e-10 ] [ 4.896764799999999e-10 1.4189382e-10 4.4399416e-10 ] [ 5.321832200000001e-10 4.4587053e-10 2.467957e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0298553 -0.0182682 0.3854318 ] [ -0.4712955 0.4222033 0.0214422 ] [ 0.6875543 -0.026536 0.0067877 ] [ -0.0422054 -0.3009468 -0.4337366 ] [ 0.0891209 0.0412132 0.1436125 ] [ 0.0908094 -0.1827119 0.1688719 ] [ -0.3241286 0.0650464 -0.2924096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.783346366697024e-11 -2.926888294409856e-11 6.175298188728614e-10 ] [ -7.550986315882463e-10 6.764442564846086e-10 3.435419153851776e-11 ] [ 1.101583424990509e-09 -4.25153588095488e-11 1.087509424900416e-11 ] [ -6.762050515151232e-11 -4.821699270645735e-10 -6.949226401052814e-10 ] [ 1.427874224046547e-10 6.603082550835456e-11 2.3009258995464e-10 ] [ 1.454926976288755e-10 -2.927367345219476e-10 2.705626100900755e-10 ] [ -5.193112650526349e-10 1.042158213472051e-10 -4.684918248174797e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.694359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.354295844744207e-18 } }