{ "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" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2777391 -0.5938154 -0.8463264 ] [ -2.7443933 -3.4148259 3.92709 ] [ 0.0164671 -0.6019985 0.0997911 ] [ -0.5283681 1.769844 -0.0233723 ] [ 3.5340335 2.8407958 -3.1571824 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.449870927020333e-10 -9.513971509510004e-10 -1.355964371645829e-09 ] [ -4.397002783540161e-09 -5.471154221082319e-09 6.291891785777473e-09 ] [ 2.638320263237568e-11 -9.645079224566688e-10 1.598829673839149e-10 ] [ -8.465390169965165e-10 2.835602679263155e-09 -3.744655263432384e-11 ] [ 5.662145850823997e-09 4.551456615226833e-09 -5.058363828881234e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.8823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.384407312373184e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8778048 2.624157 1.7094655 ] [ 2.2858081 2.550258 5.0583219 ] [ 0.520897 1.9715168 3.5604795 ] [ 1.4372078 4.254489 3.4992199 ] [ 3.6427166 3.2028962 3.2073091 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8778048e-10 2.624157e-10 1.7094655e-10 ] [ 2.2858081e-10 2.550258e-10 5.0583219e-10 ] [ 5.208970000000001e-11 1.9715168e-10 3.5604795e-10 ] [ 1.4372078e-10 4.254489000000001e-10 3.4992199e-10 ] [ 3.6427166e-10 3.2028962e-10 3.2073091e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.7e-06 4.3e-06 3.13e-05 ] [ -3.2e-06 3.4e-06 -1.78e-05 ] [ 2.78e-05 2.47e-05 -9.3e-06 ] [ 2.6e-06 -2.76e-05 -4.1e-06 ] [ -2.55e-05 -4.8e-06 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.72370025536e-15 6.889359469440001e-15 5.014812823104e-14 ] [ -5.126965186560001e-15 5.44740051072e-15 -2.851874385024e-14 ] [ 4.454051005824e-14 3.957376253376001e-14 -1.490024257344e-14 ] [ 4.16565921408e-15 -4.422007473408001e-14 -6.568924145279999e-15 ] [ -4.08555038304e-14 -7.69044777984e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }