{ "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" [ [ 2.8328 1.144076 3.909989 ] [ 1.831555 2.949109 3.983595 ] [ 4.980623 2.123246 2.998848 ] [ 3.28235 2.585733 1.880535 ] [ 4.448764 2.855471 5.04642 ] [ 4.331941 4.016039 3.033368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8328e-10 1.144076e-10 3.909989e-10 ] [ 1.831555e-10 2.949109e-10 3.983595000000001e-10 ] [ 4.980622999999999e-10 2.123246e-10 2.998848e-10 ] [ 3.28235e-10 2.585733e-10 1.880535e-10 ] [ 4.448764e-10 2.855471e-10 5.04642e-10 ] [ 4.331941e-10 4.016039e-10 3.033368e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.380395 -17.0056603 1.1300462 ] [ -10.8378799 15.346736 1.4633413 ] [ 29.5069652 -35.3606782 2.328952 ] [ -24.2866496 -6.2606181 -21.896557 ] [ -1.2589699 -0.3376934 12.6404932 ] [ -0.5038608 43.617914 4.3337243 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.182469632126922e-08 -2.724607135392671e-08 1.810533602063881e-09 ] [ -1.736419779481825e-08 2.458818162478971e-08 2.344531219111079e-09 ] [ 4.727536979419919e-08 -5.665405190767223e-08 3.731392445365402e-09 ] [ -3.891150218668167e-08 -1.003061595157732e-08 -3.508215170141459e-08 ] [ -2.017092140070914e-09 -5.410444704784627e-10 2.025230268042138e-08 ] [ -8.072739938975846e-10 6.988360205886501e-08 6.943391754452845e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.96452315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.545336441150372e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0096851 0.9125179 3.870103 ] [ 1.9864201 3.3145348 3.9851256 ] [ 5.2495918 1.9100297 2.9657965 ] [ 2.9992454 2.4316118 1.7435583 ] [ 4.2367667 2.792939 5.2073613 ] [ 4.226324 4.3120409 3.0808105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0096851e-10 9.125179000000001e-11 3.870103e-10 ] [ 1.9864201e-10 3.3145348e-10 3.9851256e-10 ] [ 5.249591800000001e-10 1.9100297e-10 2.9657965e-10 ] [ 2.9992454e-10 2.431611800000001e-10 1.7435583e-10 ] [ 4.236766700000001e-10 2.792939e-10 5.2073613e-10 ] [ 4.226324e-10 4.3120409e-10 3.0808105e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-06 3.7e-06 2.38e-05 ] [ 3.81e-05 -2.95e-05 -1.88e-05 ] [ 2.8e-06 -2.16e-05 -1.39e-05 ] [ -7.6e-06 3.39e-05 -3e-07 ] [ -2.18e-05 2.97e-05 -1.63e-05 ] [ -1.28e-05 -1.62e-05 2.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-15 5.928053496960001e-15 3.813180357504e-14 ] [ 6.104292925248e-14 -4.72642103136e-14 -3.012092047104e-14 ] [ 4.48609453824e-15 -3.460701500928e-14 -2.227025502912e-14 ] [ -1.217654231808e-14 5.431378744512e-14 -4.8065298624e-16 ] [ -3.492745033344e-14 4.758464563776e-14 -2.611547891904e-14 ] [ -2.050786074624e-14 -2.595526125696e-14 4.08555038304e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.315328 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.614003708228362e-18 } }