{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7500884 0.5651986 0.3599382 ] [ -4.9188572 -1.9226662 -3.1565596 ] [ 0.0 0.0 0.0 ] [ 3.3640467 2.9278679 -1.8775863 ] [ 2.3048989 -1.5704003 4.6742077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.201774098013279e-09 9.055479830288909e-10 5.766845689728345e-10 ] [ -7.88087800689375e-09 -3.080450835242377e-09 -5.0573659932818e-09 ] [ 0.0 0.0 0.0 ] [ 5.389796974019391e-09 4.690961498170792e-09 -3.008224873394375e-09 ] [ 3.692855130887637e-09 -2.516058645957307e-09 7.488906297703341e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4903965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.796584911222147e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0956574 1.9595366 1.6785996 ] [ 2.8508986 3.0437825 2.4461376 ] [ 6.490409 2.006692 2.6050511 ] [ 5.4700835 5.4378941 3.9419219 ] [ 4.9320815 3.5151899 3.0053247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0956574e-10 1.9595366e-10 1.6785996e-10 ] [ 2.8508986e-10 3.0437825e-10 2.4461376e-10 ] [ 6.490408999999999e-10 2.006692e-10 2.6050511e-10 ] [ 5.4700835e-10 5.4378941e-10 3.9419219e-10 ] [ 4.9320815e-10 3.5151899e-10 3.0053247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0939934 0.0798166 0.0504773 ] [ -0.1299751 -0.0688004 -0.0514996 ] [ -0.0092063 0.0350156 0.0138991 ] [ -0.0346317 -0.0542572 -0.0296669 ] [ 0.0798197 0.0082254 0.01679 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.505940279895027e-10 1.278802904717453e-10 8.087354994110784e-11 ] [ -2.082430665061421e-10 -1.102303923816883e-10 -8.251145510055168e-11 ] [ -1.475011862407104e-11 5.610117568328448e-11 2.226881307016128e-11 ] [ -5.548610007855936e-11 -8.692961735006976e-11 -4.753161359161152e-11 ] [ 1.278852572192697e-10 1.317854357672832e-11 2.6900545463232e-11 ] ] } "relaxed-potential-energy" { "source-value" -10.270321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.645486819431128e-18 } }