{ "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" [ [ -0.2953167 -1.0649024 -1.7929174 ] [ -5.6339995 -1.6567017 2.9563457 ] [ -8.6924316 4.2323595 -2.6636413 ] [ 5.1182975 -7.1468326 -4.5651522 ] [ 1.8634228 -3.5018891 2.9382208 ] [ 4.6205201 3.3464548 -3.9950398 ] [ 3.0195076 5.7915114 7.1221842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.731495124718073e-10 -1.70616172871381e-09 -2.872570341305522e-09 ] [ -9.02666228049889e-09 -2.654328731379615e-09 4.736587963542611e-09 ] [ -1.392681068742314e-08 6.780987441720778e-09 -4.267623817057319e-09 ] [ 8.200416592799088e-09 -1.145048810449128e-08 -7.314180125233686e-09 ] [ 2.985532444825674e-09 -5.610644844654353e-09 4.707548672508272e-09 ] [ 7.402889280156479e-09 5.36161164312394e-09 -6.400759366725508e-09 ] [ 4.837784483047918e-09 9.279024164176678e-09 1.141099701427115e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.939348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.073112085399524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.457211 0.9941264 1.2440038 ] [ 0.9563088 1.7361668 3.692369 ] [ 1.196915 3.5193202 1.8370409 ] [ 3.7619856 1.3109761 1.8474301 ] [ 3.2719268 1.4493993 4.2399814 ] [ 3.5824297 3.7505202 1.845728 ] [ 4.0583751 3.7126117 4.1940838 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.457211e-10 9.941264e-11 1.2440038e-10 ] [ 9.563088e-11 1.7361668e-10 3.692369e-10 ] [ 1.196915e-10 3.5193202e-10 1.8370409e-10 ] [ 3.7619856e-10 1.3109761e-10 1.8474301e-10 ] [ 3.2719268e-10 1.4493993e-10 4.2399814e-10 ] [ 3.5824297e-10 3.7505202e-10 1.845728e-10 ] [ 4.0583751e-10 3.7126117e-10 4.1940838e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 -1e-07 -1.23e-05 ] [ -2.32e-05 -6.6e-06 1.12e-05 ] [ 3.84e-05 -2.37e-05 9.1e-06 ] [ -1.89e-05 1.62e-05 -1e-06 ] [ 1.04e-05 2.09e-05 -5.7e-06 ] [ -6e-07 -1e-06 7e-07 ] [ -3.3e-06 -5.7e-06 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 -1.6021766208e-16 -1.970677243584e-14 ] [ -3.717049760256e-14 -1.057436569728e-14 1.794437815296e-14 ] [ 6.152358223872e-14 -3.797158591296e-14 1.457980724928e-14 ] [ -3.028113813312e-14 2.595526125696e-14 -1.6021766208e-15 ] [ 1.666263685632e-14 3.348549137472e-14 -9.13240673856e-15 ] [ -9.6130597248e-16 -1.6021766208e-15 1.12152363456e-15 ] [ -5.28718284864e-15 -9.13240673856e-15 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }