{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.5387053 8.8155706 -67.7275857 ] [ -24.2577543 -28.1129651 62.4996519 ] [ -4.5096997 6.1383307 -83.5784521 ] [ 92.8352362 -21.2858376 54.5408468 ] [ -77.6064874 34.4449014 34.2655391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.169139728627196e-08 1.412410123069736e-08 -1.085115552857725e-07 ] [ -3.886520713277302e-08 -4.504193579567747e-08 1.001354819073137e-07 ] [ -7.225335485696809e-09 9.834690019304862e-09 -1.339074430605082e-07 ] [ 1.487384462515109e-07 -3.410367163783864e-08 8.738407034153365e-08 ] [ -1.243393007590954e-07 5.518681618351388e-08 5.489944609743338e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 63.245816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.013309685934633e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7162991 1.2794924 0.8604775 ] [ 0.1110767 0.2339891 3.0403644 ] [ 2.8935925 1.9183694 0.1438244 ] [ 3.3806216 2.9824617 2.1886517 ] [ 1.2515591 2.4489461 3.107791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.162991e-11 1.2794924e-10 8.604775000000001e-11 ] [ 1.110767e-11 2.339891e-11 3.0403644e-10 ] [ 2.8935925e-10 1.9183694e-10 1.438244e-11 ] [ 3.3806216e-10 2.9824617e-10 2.1886517e-10 ] [ 1.2515591e-10 2.4489461e-10 3.107791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 -8e-06 -5.8e-06 ] [ 3.5e-06 6.2e-06 -1.7e-06 ] [ -3.6e-06 2.4e-06 3.1e-06 ] [ 2.1e-06 -5e-07 3.8e-06 ] [ 2.3e-06 -1e-07 7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.8893595262e-15 -1.2817413072e-14 -9.2926244772e-15 ] [ 5.607618218999999e-15 9.9334951308e-15 -2.7237002778e-15 ] [ -5.767835882399999e-15 3.845223921599999e-15 4.9667475654e-15 ] [ 3.364570931399999e-15 -8.010883169999999e-16 6.088271209199999e-15 ] [ 3.685006258199999e-15 -1.602176634e-16 1.1215236438e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726390815117e-18 } }