{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.603845 -0.7156596 -1.0673631 ] [ -2.924003 -0.2383589 1.6210102 ] [ -4.5603298 2.5355752 -0.95362 ] [ 4.1393896 -4.3011989 -2.9633277 ] [ 1.0875658 -0.8449645 1.42131 ] [ 2.0191787 1.3656187 -1.1743361 ] [ 0.8420438 2.1989879 3.1163267 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.67466341586976e-10 -1.14661307957108e-09 -1.710104204724612e-09 ] [ -4.684769245749062e-09 -3.818930569396052e-10 2.597144644518332e-09 ] [ -7.30645378869754e-09 4.062439305720284e-09 -1.527867669127296e-09 ] [ 6.632033241502664e-09 -6.891280318990678e-09 -4.747774360709036e-09 ] [ 1.742472498341649e-09 -1.353782367305962e-09 2.277189652909248e-09 ] [ 3.235080906357337e-09 2.187962354067289e-09 -1.881493844381451e-09 ] [ 1.349102890049591e-09 3.523167002802089e-09 4.992905781514816e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.284983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609141903272545e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.22709 1.3814288 1.5930442 ] [ 1.0150549 1.0761635 4.0005287 ] [ 1.3713933 3.7782516 1.1825291 ] [ 3.6788048 1.3069523 1.831652 ] [ 3.4155351 1.3815104 4.2808342 ] [ 3.7305757 3.7704671 1.7894116 ] [ 3.8466983 3.778347 4.2226371 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.22709e-10 1.3814288e-10 1.5930442e-10 ] [ 1.0150549e-10 1.0761635e-10 4.0005287e-10 ] [ 1.3713933e-10 3.7782516e-10 1.1825291e-10 ] [ 3.6788048e-10 1.3069523e-10 1.831652e-10 ] [ 3.4155351e-10 1.3815104e-10 4.2808342e-10 ] [ 3.7305757e-10 3.7704671e-10 1.7894116e-10 ] [ 3.8466983e-10 3.778347e-10 4.2226371e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 -3.69e-05 3.9e-06 ] [ 2.9e-06 1.6e-06 -1.44e-05 ] [ -2.47e-05 2.95e-05 -3e-06 ] [ -8.5e-06 -2.39e-05 -1.25e-05 ] [ 1.8e-06 3.5e-06 -3e-07 ] [ 2.91e-05 1.4e-06 2.04e-05 ] [ 4.7e-06 2.48e-05 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 -5.912031730752001e-14 6.24848882112e-15 ] [ 4.646312200320001e-15 2.56348259328e-15 -2.307134333952e-14 ] [ -3.957376253376001e-14 4.72642103136e-14 -4.8065298624e-15 ] [ -1.36185012768e-14 -3.829202123712e-14 -2.002720776e-14 ] [ 2.88391791744e-15 5.6076181728e-15 -4.8065298624e-16 ] [ 4.662333966527999e-14 2.24304726912e-15 3.268440306432e-14 ] [ 7.53023011776e-15 3.973398019584e-14 9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.146068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.387973577144701e-18 } }