{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4884078 -3.6161577 -2.4961686 ] [ -0.9860047 2.847331 3.5946015 ] [ 2.2031637 4.5822214 -1.3328806 ] [ -0.8777122 -1.5478146 -0.5567821 ] [ 1.6964515 -2.7447076 0.9756051 ] [ -2.1211157 -1.1987187 -1.1259811 ] [ -1.4031905 1.6778462 0.9416058 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.384692199023345e-09 -5.793723371799181e-09 -3.999303005444492e-09 ] [ -1.57975369135418e-09 4.561927197463854e-09 5.75918653184135e-09 ] [ 3.529857401016986e-09 7.341528058894767e-09 -2.1355101532319e-09 ] [ -1.406249978216735e-09 -2.479872385884056e-09 -8.920632708494512e-10 ] [ 2.718014954014251e-09 -4.397506383882218e-09 1.563091695231233e-09 ] [ -3.398402012550553e-09 -1.920559091878855e-09 -1.804020608745617e-09 ] [ -2.248159032150777e-09 2.688205977085691e-09 1.508618811198877e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.881438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.384269224391969e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9554695 1.3475028 2.0922237 ] [ 2.2349426 2.916835 4.0237338 ] [ 3.0108152 3.6209818 1.7149431 ] [ 4.4379985 1.6269349 2.2514866 ] [ 4.5792265 2.212968 4.5972826 ] [ 3.9131615 5.5882677 2.7171314 ] [ 3.8910761 4.6024569 4.8680598 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9554695e-10 1.3475028e-10 2.0922237e-10 ] [ 2.2349426e-10 2.916835e-10 4.0237338e-10 ] [ 3.0108152e-10 3.6209818e-10 1.7149431e-10 ] [ 4.4379985e-10 1.6269349e-10 2.2514866e-10 ] [ 4.5792265e-10 2.212968e-10 4.5972826e-10 ] [ 3.9131615e-10 5.5882677e-10 2.7171314e-10 ] [ 3.8910761e-10 4.6024569e-10 4.868059800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.053515 -0.0215877 -0.0316488 ] [ 0.0669644 0.0491637 0.0383523 ] [ 0.0037207 -0.0161487 0.0061693 ] [ 0.0397473 0.0223028 0.0203932 ] [ -0.0284593 0.0232475 -0.0136769 ] [ -0.0046356 0.0022816 -0.0046054 ] [ -0.0238225 -0.0592592 -0.0149838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.574048256850999e-11 -3.45873085218018e-11 -5.07069678541392e-11 ] [ 1.072887969898296e-10 7.876893138098578e-11 6.144715892015819e-11 ] [ 5.961218602123799e-12 -2.587306980947579e-11 9.884308308136198e-12 ] [ 6.368219532458819e-11 3.57330250327752e-11 3.26735085324888e-11 ] [ -4.55968254799962e-11 3.7246601298915e-11 -2.19128096055546e-11 ] [ -7.4270500045704e-12 3.6555262081344e-12 -7.378664270223599e-12 ] [ -3.8167852863465e-11 -9.494370558953278e-11 -2.40066942485292e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.055573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.732604054008128e-18 } }