{ "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" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9660707 -0.2450227 -3.0445385 ] [ -18.807479 -22.0858436 -5.8726004 ] [ 27.7905109 -1.4303023 -20.4948354 ] [ -24.6838431 14.4963014 -12.3941827 ] [ 13.7347405 9.2648672 41.806157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.149992536332023e-09 -3.925696447395917e-10 -4.877888446013408e-09 ] [ -3.013290339824568e-08 -3.538542255809844e-08 -9.408943141699052e-09 ] [ 4.452530721090231e-08 -2.291596924616458e-09 -3.283634639555604e-08 ] [ -3.954787665214212e-08 2.322563538250149e-08 -1.985766991946703e-08 ] [ 2.200548030315347e-08 1.4843953744953e-08 6.698084790273552e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.8985915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.848408840811011e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8800488 2.6827925 2.5984582 ] [ 1.4722126 0.5170887 1.5768458 ] [ 3.4483463 1.6114025 0.5858888 ] [ 1.2425969 2.5514265 0.2008482 ] [ 3.0857983 1.7427686 2.9834988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.800488e-11 2.6827925e-10 2.5984582e-10 ] [ 1.4722126e-10 5.170887e-11 1.5768458e-10 ] [ 3.4483463e-10 1.6114025e-10 5.858888e-11 ] [ 1.2425969e-10 2.5514265e-10 2.008482e-11 ] [ 3.0857983e-10 1.7427686e-10 2.9834988e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 -1e-07 ] [ 1e-07 0.0 0.0 ] [ -1e-07 -0.0 -1e-07 ] [ 0.0 0.0 -0.0 ] [ -0.0 -0.0 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 -1.602176634e-16 ] [ 1.602176634e-16 0.0 0.0 ] [ -1.602176634e-16 0.0 -1.602176634e-16 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786281540152e-18 } }