{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.304637 -4.6922718 0.9419104 ] [ -7.1305373 6.1742962 -1.9865202 ] [ -9.0316822 -1.3118115 6.282816 ] [ 8.4484556 -5.9866438 -3.502571 ] [ 11.0184009 5.8164309 -1.7356352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.294612185251858e-09 -7.517848238337121e-09 1.509106834201594e-09 ] [ -1.142438024992545e-08 9.89231310303499e-09 -3.182756247409006e-09 ] [ -1.447035018655371e-08 -2.101753733512491e-09 1.006618099092134e-08 ] [ 1.353591815570645e-08 -9.591660812440969e-09 -5.611737415126013e-09 ] [ 1.765342446602457e-08 9.31894968125559e-09 -2.780794162587916e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8900586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.436914261810752e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2902871 -0.0400284 2.4460293 ] [ 0.6896569 1.4357695 0.249077 ] [ 0.8755387 2.5537734 1.8122079 ] [ 2.7404708 0.411306 -0.5233948 ] [ 3.0926412 2.6245878 2.7789267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.902871e-11 -4.00284e-12 2.4460293e-10 ] [ 6.896569e-11 1.4357695e-10 2.49077e-11 ] [ 8.755387000000001e-11 2.5537734e-10 1.8122079e-10 ] [ 2.7404708e-10 4.11306e-11 -5.233948000000001e-11 ] [ 3.0926412e-10 2.6245878e-10 2.7789267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 -5.08e-05 2.39e-05 ] [ 2.41e-05 9.82e-05 0.0001935 ] [ -4.35e-05 3.3e-06 -0.0001841 ] [ 3.19e-05 1.77e-05 5.7e-06 ] [ -1.67e-05 -6.84e-05 -3.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924199399999e-15 -8.13905730072e-14 3.82920215526e-14 ] [ 3.86124568794e-14 1.573337454588e-13 3.100211786789999e-13 ] [ -6.969468357899999e-14 5.2871828922e-15 -2.949607183194e-13 ] [ 5.11094346246e-14 2.83585264218e-14 9.1324068138e-15 ] [ -2.67563497878e-14 -1.095888817656e-13 -6.232467106259999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.192012 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.793158011384761e-18 } }