{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5773604 -16.8649466 -32.609568 ] [ -24.2487903 -19.244571 13.3881327 ] [ -23.5647222 30.543396 0.8351709 ] [ 15.7056906 -32.974144 16.6479923 ] [ 12.2063776 15.8651562 -18.8611302 ] [ 25.4788047 22.6751095 20.5994024 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.935916438655738e-09 -2.702062315356045e-08 -5.224628746398782e-08 ] [ -3.885084490134182e-08 -3.083320173352568e-08 2.145015320810798e-08 ] [ -3.775484698448673e-08 4.893591499103624e-08 1.338091290352495e-09 ] [ 2.516329029283832e-08 -5.28304026076926e-08 2.667302404631842e-08 ] [ 1.955677281537682e-08 2.541878234898017e-08 -3.021886184830483e-08 ] [ 4.082154521626916e-08 3.632953031497999e-08 3.300388092773141e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.478659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.043437150393551e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1958557 0.0903904 0.297602 ] [ 0.0494356 -0.1151437 2.4289483 ] [ -0.144894 2.3054258 2.381495 ] [ 1.9799837 -0.2160954 3.7783211 ] [ 1.916027 2.2679494 1.0968283 ] [ 3.3122802 1.4848696 2.8275142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1958557e-10 9.03904e-12 2.97602e-11 ] [ 4.94356e-12 -1.151437e-11 2.4289483e-10 ] [ -1.44894e-11 2.3054258e-10 2.381495e-10 ] [ 1.9799837e-10 -2.160954e-11 3.7783211e-10 ] [ 1.916027e-10 2.2679494e-10 1.0968283e-10 ] [ 3.3122802e-10 1.4848696e-10 2.8275142e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 1.41e-05 1.23e-05 ] [ 6.3e-06 1.61e-05 -6.6e-06 ] [ 2.14e-05 -2.06e-05 2e-06 ] [ -6.3e-06 2.3e-06 4.3e-06 ] [ -1.41e-05 -8.6e-06 -4.6e-06 ] [ -1.4e-05 -3.2e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073458335936e-14 2.259069035328e-14 1.970677243584e-14 ] [ 1.009371271104e-14 2.579504359488e-14 -1.057436569728e-14 ] [ 3.428657968511999e-14 -3.300483838848e-14 3.2043532416e-15 ] [ -1.009371271104e-14 3.68500622784e-15 6.889359469440001e-15 ] [ -2.259069035328e-14 -1.377871893888e-14 -7.370012455680001e-15 ] [ -2.24304726912e-14 -5.126965186560001e-15 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }