{ "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" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6192235 -4.3267076 -5.079362 ] [ 1.0313907 6.4269618 -8.093952 ] [ -21.8690962 7.7670041 6.936204 ] [ 5.9090692 -2.3848604 -3.3415848 ] [ 17.5478598 -7.4823978 9.5786947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.196458656349949e-09 -6.932149761757678e-09 -8.13803504497993e-09 ] [ 1.652470066450547e-09 1.029712793873468e-08 -1.29679406642774e-08 ] [ -3.503815464966612e-08 1.244411238267775e-08 1.111302388589945e-08 ] [ 9.46737252292936e-09 -3.820967576751737e-09 -5.353809042980644e-09 ] [ 2.811477071663617e-08 -1.198812282268535e-08 1.534676070612087e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3359844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.140482971433516e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3414663 1.2976239 -0.3427258 ] [ 0.1194666 3.1030702 0.5782618 ] [ 0.5046174 3.0769228 2.9128228 ] [ 2.9889791 0.6985304 1.246647 ] [ 2.3787699 1.6881454 3.3069533 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3414663e-10 1.2976239e-10 -3.427258e-11 ] [ 1.194666e-11 3.1030702e-10 5.782618000000001e-11 ] [ 5.046174e-11 3.0769228e-10 2.9128228e-10 ] [ 2.9889791e-10 6.985304000000001e-11 1.246647e-10 ] [ 2.3787699e-10 1.6881454e-10 3.3069533e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 -2.4e-06 -1.9e-06 ] [ -3.2e-06 2e-06 3.4e-06 ] [ 1.2e-06 4e-07 -1.3e-06 ] [ -2.6e-06 1.8e-06 4.6e-06 ] [ 7e-07 -1.9e-06 -4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 -3.84522388992e-15 -3.04413557952e-15 ] [ -5.126965186560001e-15 3.2043532416e-15 5.44740051072e-15 ] [ 1.92261194496e-15 6.408706483200001e-16 -2.08282960704e-15 ] [ -4.16565921408e-15 2.88391791744e-15 7.370012455680001e-15 ] [ 1.12152363456e-15 -3.04413557952e-15 -7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }