{ "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" [ [ 1.355439 -0.5315451 1.2793511 ] [ -2.773062 -3.7753557 3.6387447 ] [ 1.0784157 2.7326236 -0.9226912 ] [ 1.5911847 -0.7254673 0.5891822 ] [ 0.3324469 0.659464 -1.9564622 ] [ -2.1969694 0.969752 0.7980738 ] [ 0.6125451 0.6705286 -3.4261983 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.171652676720531e-09 -8.516291321207981e-10 2.049746422214763e-09 ] [ -4.442935104428889e-09 -6.048786637744018e-09 5.82991168739991e-09 ] [ 1.727812422043667e-09 4.378145645366332e-09 -1.478314268857897e-09 ] [ 2.549358925714661e-09 -1.1623267472149e-09 9.439739462315097e-10 ] [ 5.326386508374355e-10 1.056577803059251e-09 -3.134597996318933e-09 ] [ -3.519933009293004e-09 1.553713982374041e-09 1.278655184033015e-09 ] [ 9.81405438405598e-10 1.074305246497755e-09 -5.489374814484704e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.939838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.636673185333944e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9494755 1.2571304 1.4860252 ] [ 1.8274207 1.8891806 3.6936823 ] [ 2.9354048 3.5135857 2.4811839 ] [ 4.9956113 2.5299247 2.0107 ] [ 4.3130188 2.7308523 4.3759528 ] [ 3.4431786 0.6436454 4.9310489 ] [ 4.8395743 0.4510455 3.0059168 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9494755e-10 1.2571304e-10 1.4860252e-10 ] [ 1.8274207e-10 1.8891806e-10 3.6936823e-10 ] [ 2.9354048e-10 3.5135857e-10 2.4811839e-10 ] [ 4.9956113e-10 2.5299247e-10 2.0107e-10 ] [ 4.3130188e-10 2.7308523e-10 4.3759528e-10 ] [ 3.4431786e-10 6.436454000000001e-11 4.931048900000001e-10 ] [ 4.8395743e-10 4.510455e-11 3.0059168e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.75e-05 2.8e-05 -1.81e-05 ] [ -1.1e-06 -3.84e-05 3.16e-05 ] [ -1.77e-05 5.22e-05 -7.49e-05 ] [ 7.14e-05 -3.3e-06 4.02e-05 ] [ -4.49e-05 -3.8e-05 -3e-06 ] [ 3.86e-05 1.69e-05 4.8e-05 ] [ 1.2e-06 -1.73e-05 -2.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.610338948800001e-14 4.48609453824e-14 -2.899939683648e-14 ] [ -1.76239428288e-15 -6.152358223872e-14 5.062878121728e-14 ] [ -2.835852618816e-14 8.363361960576001e-14 -1.2000302889792e-13 ] [ 1.1439541072512e-13 -5.28718284864e-15 6.440750015616e-14 ] [ -7.193773027392e-14 -6.08827115904e-14 -4.8065298624e-15 ] [ 6.184401756288e-14 2.707678489152e-14 7.69044777984e-14 ] [ 1.92261194496e-15 -2.771765553984e-14 -3.813180357504e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }