{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8396134 -2.8000162 -3.6431102 ] [ 0.6107629 0.1189736 -2.3715953 ] [ -3.4709017 -1.4451102 0.7517678 ] [ 0.7002416 -0.978002 0.6466756 ] [ 4.4025783 -1.1005529 1.8001416 ] [ 1.7394917 3.0625348 1.2655093 ] [ -0.1425595 3.1421727 1.5506112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.151738873073296e-09 -4.486120530461469e-09 -5.836906037527066e-09 ] [ 9.785500472940785e-10 1.906167219828624e-10 -3.79971457496422e-09 ] [ -5.560997602650877e-09 -2.315321795995066e-09 1.204464803353585e-09 ] [ 1.121910729674774e-09 -1.566931952405268e-09 1.03608853609793e-09 ] [ 7.053708081615442e-09 -1.763280140860939e-09 2.884144809411374e-09 ] [ 2.786972956776938e-09 4.906721697371862e-09 2.027569430569696e-09 ] [ -2.28405499854723e-10 5.034315679932691e-09 2.484353033058701e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.604394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.422711506252979e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7064309 1.6262412 1.349076 ] [ 1.6461317 2.7140461 5.1604414 ] [ 1.5471888 1.2626318 3.3278105 ] [ 1.2276897 3.5310133 3.0460312 ] [ 3.8594033 1.760933 3.390013 ] [ 3.9197801 3.5262184 1.8430688 ] [ 3.2708005 3.9616272 4.0295471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7064309e-10 1.6262412e-10 1.349076e-10 ] [ 1.6461317e-10 2.7140461e-10 5.1604414e-10 ] [ 1.5471888e-10 1.2626318e-10 3.3278105e-10 ] [ 1.2276897e-10 3.5310133e-10 3.0460312e-10 ] [ 3.8594033e-10 1.760933e-10 3.390013e-10 ] [ 3.9197801e-10 3.5262184e-10 1.8430688e-10 ] [ 3.2708005e-10 3.9616272e-10 4.0295471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.14e-05 3.19e-05 3.68e-05 ] [ -3.34e-05 1.51e-05 2.14e-05 ] [ 4.5e-05 6.36e-05 1.4e-05 ] [ 0.0001532 -8.09e-05 -4.85e-05 ] [ -3.8e-05 4.25e-05 -4.01e-05 ] [ -5.8e-05 -2.9e-06 2.98e-05 ] [ -3.75e-05 -6.93e-05 -1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.030834630759999e-14 5.11094346246e-14 5.896010013119999e-14 ] [ -5.351269957559999e-14 2.41928671734e-14 3.42865799676e-14 ] [ 7.209794852999999e-14 1.018984339224e-13 2.243047287599999e-14 ] [ 2.454534603288e-13 -1.296160896906e-13 -7.770556674899999e-14 ] [ -6.088271209199999e-14 6.8092506945e-14 -6.42472830234e-14 ] [ -9.292624477199999e-14 -4.6463122386e-15 4.77448636932e-14 ] [ -6.008162377499999e-14 -1.110308407362e-13 -2.14691668956e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.111841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.824448805692319e-18 } }