{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5726281 -8.2441759 -5.4840251 ] [ -5.8432973 2.6348874 3.4918513 ] [ -1.8358031 6.2702501 0.8265244 ] [ 5.5178814 1.3681377 -0.3000631 ] [ 1.1865462 4.7405086 3.4806359 ] [ -1.7328529 -2.8582272 3.1151966 ] [ 4.280154 -3.9113807 -5.1301201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.519627975033125e-09 -1.32086258847428e-08 -8.786376803100383e-09 ] [ -9.361994322443764e-09 4.221554990720499e-09 5.594562516170087e-09 ] [ -2.941280807212164e-09 1.004604811678886e-08 1.324238070200748e-09 ] [ 8.840620575427175e-09 2.191998236975084e-09 -4.807540835847725e-10 ] [ 1.901056581139081e-09 7.59513204962134e-09 5.576593464497167e-09 ] [ -2.77633640366548e-09 -4.579384796774646e-09 4.99109516171565e-09 ] [ 6.857562672223602e-09 -6.266722712588338e-09 -8.219358486116158e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5560088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.531041388751907e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6705855 0.4432857 1.8303117 ] [ 1.9669191 2.2647425 3.4145642 ] [ 3.2338207 3.9350763 2.2568603 ] [ 5.0259082 3.1160764 1.8505587 ] [ 4.1829949 2.3368391 4.6842233 ] [ 3.2487891 0.0291735 5.2153405 ] [ 4.9746665 0.8901711 2.7326513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6705855e-10 4.432857000000001e-11 1.8303117e-10 ] [ 1.9669191e-10 2.2647425e-10 3.4145642e-10 ] [ 3.2338207e-10 3.9350763e-10 2.2568603e-10 ] [ 5.025908200000001e-10 3.1160764e-10 1.8505587e-10 ] [ 4.1829949e-10 2.3368391e-10 4.684223300000001e-10 ] [ 3.2487891e-10 2.91735e-12 5.2153405e-10 ] [ 4.9746665e-10 8.901711e-11 2.7326513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.82e-05 5.51e-05 7.66e-05 ] [ -6.01e-05 3.25e-05 -2.58e-05 ] [ 0.0001408 -9.06e-05 -2.36e-05 ] [ -0.0001298 -1e-05 2.97e-05 ] [ -7.5e-06 -5.14e-05 -4.17e-05 ] [ -1.16e-05 -3.57e-05 3.32e-05 ] [ 1.98e-05 0.0001002 -4.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.722491312256001e-14 8.827993180608e-14 1.2272672915328e-13 ] [ -9.629081491008e-14 5.207074017599999e-14 -4.133615681664e-14 ] [ 2.2558646820864e-13 -1.4515720184448e-13 -3.781136825088e-14 ] [ -2.0796252537984e-13 -1.6021766208e-14 4.758464563776e-14 ] [ -1.2016324656e-14 -8.235187830912e-14 -6.681076508736e-14 ] [ -1.858524880128e-14 -5.719770536256001e-14 5.319226381056e-14 ] [ 3.172309709184e-14 1.6053809740416e-13 -7.738513078464e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.329391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.776474511290194e-18 } }