{ "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" [ [ 1.3198255 1.8772776 0.0830089 ] [ -2.115665 0.4445982 0.0006419 ] [ -3.2955971 -1.5118136 0.8331275 ] [ 0.2179437 -2.4626671 -1.2518182 ] [ 0.9475618 -2.3517786 1.5725485 ] [ 2.5475001 2.0148892 -1.9517851 ] [ 0.378431 1.9894943 0.7142765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114593577057367e-09 3.007730306251598e-09 1.329949199940426e-10 ] [ -3.389669028371609e-09 7.123248475584587e-10 1.0284371813646e-12 ] [ -5.280128668698161e-09 -2.422192424883422e-09 1.334817413642835e-09 ] [ 3.491843036675058e-10 -3.945627684940542e-09 -2.005633870055938e-09 ] [ 1.518161375230981e-09 -3.767964721261232e-09 2.519500462531749e-09 ] [ 4.081545135332663e-09 3.228208396338952e-09 -3.127104481809353e-09 ] [ 6.06313305781254e-10 3.187521280936186e-09 1.144397118515301e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.651279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.629134994401488e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9506124 1.4107332 1.7213677 ] [ 1.0107735 2.1330055 3.994653 ] [ 1.2137455 3.8104985 2.2419586 ] [ 4.4661375 1.5888513 2.1831242 ] [ 3.0208936 0.7599666 3.9583146 ] [ 3.3492768 3.474195 1.1223877 ] [ 3.2737128 3.2958708 3.6788313 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9506124e-10 1.4107332e-10 1.7213677e-10 ] [ 1.0107735e-10 2.1330055e-10 3.994653e-10 ] [ 1.2137455e-10 3.8104985e-10 2.2419586e-10 ] [ 4.4661375e-10 1.5888513e-10 2.1831242e-10 ] [ 3.0208936e-10 7.599666000000001e-11 3.9583146e-10 ] [ 3.3492768e-10 3.474195e-10 1.1223877e-10 ] [ 3.2737128e-10 3.2958708e-10 3.6788313e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.000118 -0.0002498 -0.0002682 ] [ -0.0001828 5e-06 0.0002847 ] [ -0.000247 0.0002368 5.93e-05 ] [ 0.0003938 -7.4e-05 1e-05 ] [ -5.79e-05 -0.0002123 0.0001378 ] [ 0.0001458 0.0001558 -0.0001979 ] [ 6.62e-05 0.0001384 -2.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.89056842812e-13 -4.002237231732e-13 -4.297037732388e-13 ] [ -2.928778886952e-13 8.010883169999999e-15 4.561396876997999e-13 ] [ -3.95737628598e-13 3.793954269312e-13 9.500907439619998e-14 ] [ 6.309371584692e-13 -1.18561070916e-13 1.602176634e-14 ] [ -9.276602710859999e-14 -3.401420993982e-13 2.207799401651999e-13 ] [ 2.335973532372e-13 2.496191195771999e-13 -3.170707558686e-13 ] [ 1.060640931708e-13 2.217412461456e-13 -4.11759394938e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }