{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.284773 1.136187 2.117179 ] [ 0.232979 2.36751 0.607179 ] [ 0.4870779 2.766051 2.845032 ] [ 1.778488 1.070505 1.035652 ] [ 2.177899 0.7799475 2.527686 ] [ 2.528264 2.860392 0.629956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.84773e-11 1.136187e-10 2.117179e-10 ] [ 2.32979e-11 2.36751e-10 6.07179e-11 ] [ 4.870779e-11 2.766051e-10 2.845032e-10 ] [ 1.778488e-10 1.070505e-10 1.035652e-10 ] [ 2.177899e-10 7.799475000000001e-11 2.527686e-10 ] [ 2.528264e-10 2.860392e-10 6.29956e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.1114855 -23.6845247 9.4141431 ] [ -7.4666229 12.1439107 -12.76454 ] [ -2.3270326 25.3846603 17.9412254 ] [ 10.7170098 -12.8220924 -60.5541124 ] [ 21.7834405 -13.7200445 51.5575188 ] [ 5.4046907 12.6980907 -5.594235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.503956484405821e-08 -3.794679174910013e-08 1.508311997968564e-08 ] [ -1.19628486467099e-08 1.945668980862296e-08 -2.045104756326643e-08 ] [ -3.728317227559438e-09 4.067070925960991e-08 2.874501188438313e-08 ] [ 1.717054254644448e-08 -2.054325667301736e-08 -9.701838318057538e-08 ] [ 3.490091908968787e-08 -2.198193453423562e-08 8.260425124781646e-08 ] [ 8.659269082195187e-09 2.03445840483379e-08 -8.962952528261088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.286149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.96845806874653e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0544214 0.6848409 1.9753016 ] [ 0.3023661 2.8146649 0.7659092 ] [ 0.5281318 2.7522753 3.1982809 ] [ 2.0604122 0.7931063 0.6939623 ] [ 2.1158062 0.9266245 3.1333032 ] [ 2.537186 3.0090805 -0.0040733 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.44214e-12 6.848409e-11 1.9753016e-10 ] [ 3.023661e-11 2.8146649e-10 7.659091999999999e-11 ] [ 5.281318e-11 2.7522753e-10 3.1982809e-10 ] [ 2.0604122e-10 7.931063000000001e-11 6.939623000000001e-11 ] [ 2.1158062e-10 9.266245e-11 3.1333032e-10 ] [ 2.537186e-10 3.0090805e-10 -4.0733e-13 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.48e-05 2.97e-05 1.55e-05 ] [ -8.89e-05 2.1e-05 4.05e-05 ] [ -3.15e-05 -1.4e-06 -2.61e-05 ] [ 2.02e-05 -5.54e-05 3.4e-06 ] [ 1.37e-05 -2.94e-05 7.5e-06 ] [ 7.17e-05 3.55e-05 -4.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.371221398784e-14 4.758464563776e-14 2.48337376224e-14 ] [ -1.4243350158912e-13 3.36457090368e-14 6.488815314240001e-14 ] [ -5.04685635552e-14 -2.24304726912e-15 -4.181680980288e-14 ] [ 3.236396774016e-14 -8.876058479231999e-14 5.44740051072e-15 ] [ 2.194981970496e-14 -4.710399265152e-14 1.2016324656e-14 ] [ 1.1487606371136e-13 5.68772700384e-14 -6.536880612864e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.223947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.75958052012983e-18 } }