{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7518727 -2.2343725 -1.2977048 ] [ -1.0488131 0.3912259 1.3281223 ] [ 0.429917 1.2558346 -1.3388831 ] [ -0.2882357 0.3378174 0.600596 ] [ 1.5727397 -0.8110622 1.7662595 ] [ -0.3920067 1.2696571 -0.9523833 ] [ 0.4782714 -0.2091003 -0.1060067 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.204632861757772e-09 -3.579859381658448e-09 -2.07915229125994e-09 ] [ -1.680383828408773e-09 6.268129904314388e-10 2.127886498623124e-09 ] [ 6.888029662844736e-10 2.01206883571172e-09 -2.145127200804229e-09 ] [ -4.618044998199226e-10 5.412431403794419e-10 9.62260869745997e-10 ] [ 2.519806777944006e-09 -1.299464894854614e-09 2.829859677165898e-09 ] [ -6.280639699369594e-10 2.034214922052728e-09 -1.525886257300353e-09 ] [ 7.662752554772852e-10 -3.350156120622663e-10 -1.698414563881594e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.660029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.669230896565001e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8193632 1.9258707 2.142281 ] [ 2.0266555 2.9578185 4.0208968 ] [ 2.6363702 3.8384724 0.904961 ] [ 1.6343151 4.8349334 2.732581 ] [ 4.9885559 2.3843037 2.6962997 ] [ 4.886587 4.2052064 1.2781438 ] [ 4.2171061 3.2382078 4.6995376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8193632e-10 1.9258707e-10 2.142281e-10 ] [ 2.0266555e-10 2.9578185e-10 4.0208968e-10 ] [ 2.6363702e-10 3.8384724e-10 9.049610000000001e-11 ] [ 1.6343151e-10 4.834933399999999e-10 2.732581e-10 ] [ 4.9885559e-10 2.3843037e-10 2.6962997e-10 ] [ 4.886586999999999e-10 4.2052064e-10 1.2781438e-10 ] [ 4.2171061e-10 3.2382078e-10 4.6995376e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.4e-06 -1.5e-06 -1.8e-06 ] [ -1.9e-06 -2.3e-06 -1.55e-05 ] [ -2.17e-05 4e-07 4.3e-06 ] [ 3.5e-06 6.6e-06 3.8e-06 ] [ -1.1e-06 1.11e-05 7.2e-06 ] [ 7e-06 -1.44e-05 8.8e-06 ] [ 4.8e-06 1e-07 -6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.506046023552e-14 -2.4032649312e-15 -2.88391791744e-15 ] [ -3.04413557952e-15 -3.68500622784e-15 -2.48337376224e-14 ] [ -3.476723267136e-14 6.408706483200001e-16 6.889359469440001e-15 ] [ 5.6076181728e-15 1.057436569728e-14 6.08827115904e-15 ] [ -1.76239428288e-15 1.778416049088e-14 1.153567166976e-14 ] [ 1.12152363456e-14 -2.307134333952e-14 1.409915426304e-14 ] [ 7.69044777984e-15 1.6021766208e-16 -1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }