{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4431781 -5.4462336 -1.8996949 ] [ -6.4196045 12.6369642 -0.8977789 ] [ 0.2983217 -10.3018975 2.9741959 ] [ 0.3834595 0.2324557 0.0271814 ] [ 4.3646988 -5.1668889 -4.9035305 ] [ 4.5663652 5.8686353 -1.2636921 ] [ 0.2499373 2.1769649 5.9633189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.516579498520515e-09 -8.725828217225702e-09 -3.043646780508967e-09 ] [ -1.028534032942125e-08 2.02466487659345e-08 -1.438400376078223e-09 ] [ 4.779640571551578e-10 -1.650545946036301e-08 4.7651871759186e-09 ] [ 6.143698509853229e-10 3.724350909801137e-10 4.35494039594076e-11 ] [ 6.993018431807839e-09 -8.278268666053961e-09 -7.856321991206335e-09 ] [ 7.316123625750736e-09 9.40259035112758e-09 -2.024657955190391e-09 ] [ 4.004437020250482e-10 3.487882295818146e-09 9.554290202670581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.311935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.972589457632679e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.436112 0.8331446 1.4975906 ] [ 1.8088229 2.8996527 2.8240439 ] [ 2.4663727 -0.3246554 3.7519245 ] [ 2.3650412 1.8184589 4.9718492 ] [ 4.7101667 0.2447555 2.7201369 ] [ 4.2008871 2.7420173 2.0014798 ] [ 4.7449404 2.139969 4.4025161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.436112e-10 8.331446000000001e-11 1.4975906e-10 ] [ 1.8088229e-10 2.8996527e-10 2.8240439e-10 ] [ 2.4663727e-10 -3.246554e-11 3.7519245e-10 ] [ 2.3650412e-10 1.8184589e-10 4.9718492e-10 ] [ 4.7101667e-10 2.447555e-11 2.7201369e-10 ] [ 4.2008871e-10 2.7420173e-10 2.0014798e-10 ] [ 4.7449404e-10 2.139969e-10 4.4025161e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1.96e-05 2.15e-05 ] [ -1.6e-06 1.03e-05 -7.4e-06 ] [ 1e-06 -4.3e-06 -2.26e-05 ] [ 1.19e-05 5.1e-06 -1.1e-05 ] [ -1.36e-05 4.04e-05 1.86e-05 ] [ -1.3e-06 -1.15e-05 2.63e-05 ] [ 3.7e-06 -2.04e-05 -2.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -3.140266202639999e-14 3.4446797631e-14 ] [ -2.5634826144e-15 1.65024193302e-14 -1.18561070916e-14 ] [ 1.602176634e-15 -6.8893595262e-15 -3.62091919284e-14 ] [ 1.90659019446e-14 8.1711008334e-15 -1.7623942974e-14 ] [ -2.17896022224e-14 6.472793601359999e-14 2.98004853924e-14 ] [ -2.0828296242e-15 -1.8425031291e-14 4.21372454742e-14 ] [ 5.9280535458e-15 -3.26844033336e-14 -4.06952865036e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }