{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7421253 3.4515493 0.0846365 ] [ -1.6569949 -1.306881 0.4121796 ] [ -5.2124733 1.007918 0.3382349 ] [ -0.7644516 -2.7330048 -1.8631538 ] [ -0.6985915 -2.6322955 -3.3740231 ] [ 0.466225 0.1889157 8.2644222 ] [ 3.1241609 2.0237984 -3.8622963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.59772235116024e-09 5.529991639559055e-09 1.35602622683541e-10 ] [ -2.654798511437166e-09 -2.093854201618554e-09 6.603845241314663e-10 ] [ -8.35130292660887e-09 1.614862668588012e-09 5.419120535833265e-10 ] [ -1.224786491343914e-09 -4.378756431169842e-09 -2.985101483908309e-09 ] [ -1.119266978011011e-09 -4.217402343883347e-09 -5.405780973396245e-09 ] [ 7.4697480118665e-10 3.026763203357537e-10 1.324106414235087e-08 ] [ 5.00545759483641e-09 3.242482508406585e-09 -6.188080885444654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.705806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.4776535195337e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4381677 1.6531736 2.8644346 ] [ 2.3649327 3.7416058 1.7014795 ] [ 1.9883916 3.5900904 4.2329152 ] [ 3.2074889 1.3693303 1.2163838 ] [ 3.8682767 1.9570912 3.6227919 ] [ 4.8512121 3.1308236 1.5663137 ] [ 4.0977681 4.5033271 3.4306333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4381677e-10 1.6531736e-10 2.8644346e-10 ] [ 2.3649327e-10 3.7416058e-10 1.7014795e-10 ] [ 1.9883916e-10 3.5900904e-10 4.2329152e-10 ] [ 3.2074889e-10 1.3693303e-10 1.2163838e-10 ] [ 3.8682767e-10 1.9570912e-10 3.6227919e-10 ] [ 4.8512121e-10 3.1308236e-10 1.5663137e-10 ] [ 4.0977681e-10 4.5033271e-10 3.430633300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.39e-05 -7.1e-06 -8.8e-06 ] [ 1.05e-05 5e-07 -6.1e-06 ] [ -1.84e-05 5.5e-06 1.25e-05 ] [ -2.9e-06 7.3e-06 -5.1e-06 ] [ 3.18e-05 -3.8e-06 9.6e-06 ] [ -1.41e-05 -6.4e-06 5.3e-06 ] [ 7e-06 4e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.22702552126e-14 -1.13754541014e-14 -1.40991543792e-14 ] [ 1.6822854657e-14 8.010883169999999e-16 -9.773277467399999e-15 ] [ -2.94800500656e-14 8.811971486999999e-15 2.0027207925e-14 ] [ -4.6463122386e-15 1.16958894282e-14 -8.1711008334e-15 ] [ 5.09492169612e-14 -6.088271209199999e-15 1.53808956864e-14 ] [ -2.25906905394e-14 -1.02539304576e-14 8.4915361602e-15 ] [ 1.1215236438e-14 6.408706535999999e-15 -1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }