{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -34.971938 -9.7394504 10.3863878 ] [ -28.4797656 4.9585118 -0.6901182 ] [ 139.1665466 -302.8683182 264.7519057 ] [ -101.0589118 286.9999966 -248.1692611 ] [ 25.3440689 20.6492602 -26.2789143 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.603122144766712e-08 -1.560431973032121e-08 1.664082770772235e-08 ] [ -4.562961461018409e-08 7.944411679920926e-09 -1.105691245628579e-09 ] [ 2.229693873599938e-07 -4.852485386010551e-07 4.241793136247863e-07 ] [ -1.619142258094492e-07 4.598246847221994e-07 -3.976109881356309e-07 ] [ 4.060567466752437e-08 3.308376192925593e-08 -4.210346211146679e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 74.243803 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.189516854058809e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.3479373 0.0439993 3.0491034 ] [ 0.2989672 2.9581019 0.3279512 ] [ 2.8779147 -0.3229804 2.6097587 ] [ 1.83255 2.0584026 2.258221 ] [ 2.8291035 2.5910971 -0.1104413 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.479373e-11 4.39993e-12 3.0491034e-10 ] [ 2.989672e-11 2.9581019e-10 3.279512e-11 ] [ 2.8779147e-10 -3.229804e-11 2.6097587e-10 ] [ 1.83255e-10 2.0584026e-10 2.258221e-10 ] [ 2.8291035e-10 2.5910971e-10 -1.104413e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-05 3.28e-05 -3.12e-05 ] [ -7.95e-05 1.2e-05 -1.61e-05 ] [ -8.4e-06 -2.65e-05 3.7e-05 ] [ 3.07e-05 -3.87e-05 3.89e-05 ] [ 3.62e-05 2.04e-05 -2.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-14 5.255139316223999e-14 -4.998791056896e-14 ] [ -1.273730413536e-13 1.92261194496e-14 -2.579504359488e-14 ] [ -1.345828361472e-14 -4.24576804512e-14 5.92805349696e-14 ] [ 4.918682225856e-14 -6.200423522496e-14 6.232467054911999e-14 ] [ 5.799879367296e-14 3.268440306432e-14 -4.582225135488e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.640723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.505920072300884e-18 } }