{ "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" [ [ 0.0964554 0.9453783 1.033805 ] [ 0.3537174 0.7305408 2.827753 ] [ 0.9097692 2.353277 1.204642 ] [ 0.0320969 2.73021 2.755149 ] [ 2.067566 0.358515 1.282199 ] [ 2.580778 1.703479 2.85822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.64554e-12 9.453783e-11 1.033805e-10 ] [ 3.537174000000001e-11 7.305408e-11 2.827753e-10 ] [ 9.097692e-11 2.353277e-10 1.204642e-10 ] [ 3.20969e-12 2.73021e-10 2.755149e-10 ] [ 2.067566e-10 3.58515e-11 1.282199e-10 ] [ 2.580778e-10 1.703479e-10 2.85822e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.4463558 -21.1073519 -18.3506752 ] [ 1.6688932 -9.7010972 16.7831135 ] [ 20.4837224 24.1140988 -11.0960099 ] [ -6.9046746 9.5507857 12.6319926 ] [ 6.2480789 -5.9366085 -2.9437065 ] [ -0.0496641 3.0801731 2.9752854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.436084986411848e-08 -3.381770574117846e-08 -2.940102278133437e-08 ] [ 2.673861667652099e-09 -1.554287112994834e-08 2.688951207393286e-08 ] [ 3.281854113623727e-08 3.863504532902134e-08 -1.777776764594534e-08 ] [ -1.106250821835159e-08 1.530204555881096e-08 2.023868321783861e-08 ] [ 1.001052593849378e-08 -9.511495345542558e-09 -4.716337732796995e-09 ] [ -7.957065991307329e-11 4.93498132883706e-09 4.766932708087577e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0233392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.285480648698818e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3416735 0.9685772 0.9641171 ] [ 0.5799962 0.385873 3.080928 ] [ 1.4334646 2.5545943 0.9063311 ] [ -0.0359521 2.6657827 2.7767191 ] [ 2.0494122 0.2746846 1.2105355 ] [ 2.3551355 1.9718883 3.0231373 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.416735000000001e-11 9.685772e-11 9.641171e-11 ] [ 5.799962e-11 3.85873e-11 3.080928e-10 ] [ 1.4334646e-10 2.5545943e-10 9.063311e-11 ] [ -3.59521e-12 2.6657827e-10 2.7767191e-10 ] [ 2.0494122e-10 2.746846e-11 1.2105355e-10 ] [ 2.3551355e-10 1.9718883e-10 3.0231373e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.45e-05 -2.1e-05 -3.38e-05 ] [ -5.9e-06 2.73e-05 -1.4e-05 ] [ 8.8e-06 -1.4e-05 -3.89e-05 ] [ -2.4e-05 8.7e-06 4.99e-05 ] [ 2.03e-05 -2.53e-05 -2.95e-05 ] [ 4.52e-05 2.42e-05 6.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.129685962560001e-14 -3.36457090368e-14 -5.415356978304e-14 ] [ -9.45284206272e-15 4.373942174784e-14 -2.24304726912e-14 ] [ 1.409915426304e-14 -2.24304726912e-14 -6.232467054911999e-14 ] [ -3.84522388992e-14 1.393893660096e-14 7.994861337792e-14 ] [ 3.252418540224e-14 -4.053506850624e-14 -4.72642103136e-14 ] [ 7.241838326016e-14 3.877267422336e-14 1.0622430995904e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.062777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.855281874092396e-18 } }