{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3120209 -0.4871248 -12.762685 ] [ -4.2223222 -6.0154903 0.3731773 ] [ -6.6470586 1.820332 9.6754751 ] [ 1.8158561 -5.9468776 -6.2943668 ] [ 8.9284508 -0.1006099 5.7670231 ] [ -0.1599849 -1.2426382 -0.3117773 ] [ 7.5970797 11.9724089 3.5531537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.171514893678098e-08 -7.80459965971876e-10 -2.044807552563485e-08 ] [ -6.764905914324822e-09 -9.637877921309178e-09 5.978959454732679e-10 ] [ -1.064976188600758e-08 2.916493372494106e-09 1.550182000035254e-08 ] [ 2.909322190157067e-09 -9.527948257479213e-09 -1.008468732969971e-08 ] [ 1.430495513172306e-08 -1.611948296010259e-10 9.23978958243354e-09 ] [ -2.56324066461026e-10 -1.990925872152995e-09 -4.995223009561477e-10 ] [ 1.217186348169428e-08 1.918191363423784e-08 5.692779788249017e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.7984948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.290212804390372e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5420789 2.9648567 1.6187008 ] [ 1.9725271 0.5789509 2.9188968 ] [ 2.5909066 2.6015199 4.4446725 ] [ 4.5072584 0.5980359 2.2406629 ] [ 5.0344829 1.8630957 3.9120678 ] [ 3.9749441 4.7319116 0.6049456 ] [ 4.1785959 4.500641 2.8952124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5420789e-10 2.9648567e-10 1.6187008e-10 ] [ 1.9725271e-10 5.789509e-11 2.9188968e-10 ] [ 2.5909066e-10 2.6015199e-10 4.4446725e-10 ] [ 4.507258400000001e-10 5.980359e-11 2.2406629e-10 ] [ 5.034482900000001e-10 1.8630957e-10 3.9120678e-10 ] [ 3.9749441e-10 4.7319116e-10 6.049456e-11 ] [ 4.1785959e-10 4.500641e-10 2.8952124e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1980412 1.991192 -4.7407282 ] [ 1.9288373 0.4978992 2.6730542 ] [ -0.4255279 -3.7915463 -0.2996848 ] [ -1.2364029 0.7383461 1.6166981 ] [ 0.114517 -1.0204201 -0.3264829 ] [ 0.3247909 -0.911981 1.0558045 ] [ 1.4918267 2.4965102 0.0213391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.521650222195177e-09 3.190241269923994e-09 -7.595483887607268e-09 ] [ 3.090338027386996e-09 7.977224577550233e-10 4.282704945371247e-09 ] [ -6.817708528781203e-10 -6.074726838540743e-09 -4.801479801691238e-10 ] [ -1.98093582026932e-09 1.182960859478859e-09 2.590235898711781e-09 ] [ 1.834764600841536e-10 -1.634893227614398e-09 -5.230832694709844e-10 ] [ 5.203723866285907e-10 -1.461154636813805e-09 1.691585286035434e-09 ] [ 2.390169861025216e-09 3.999850276028732e-09 3.418900712891328e-11 ] ] } "relaxed-potential-energy" { "source-value" -16.435812 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.633307373026409e-18 } }