{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.6277718 -5.1828938 -0.3294639 ] [ -7.4318107 2.6158743 -11.2677329 ] [ -7.6454526 -1.9966925 6.752348 ] [ 7.1425208 -0.0399515 -1.1582887 ] [ 3.4701102 -1.6118702 1.4055472 ] [ 1.6122739 -0.0435872 -0.6075736 ] [ 9.4801302 6.2591209 5.2051638 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.061886102595753e-08 -8.303911274449272e-09 -5.278593579775891e-10 ] [ -1.190707335375128e-08 4.191092646411566e-09 -1.805289822179899e-08 ] [ -1.224936541115457e-08 -3.199054042426704e-09 1.081845410110564e-08 ] [ 1.144357983933771e-08 -6.40093592658912e-11 -1.855783075276825e-09 ] [ 5.559729434039613e-09 -2.582500750204221e-09 2.251934863270902e-09 ] [ 2.583147548906037e-09 -6.983439280613376e-11 -9.734402173352909e-10 ] [ 1.518884296858003e-08 1.002821717274066e-08 8.339591747794487e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.806003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.731312537089466e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1021824 1.5120665 3.0287221 ] [ 1.7978959 3.9874319 2.317379 ] [ 1.4038396 3.3032904 4.8329053 ] [ 4.582142 1.7749016 2.5546991 ] [ 3.8275201 2.269784 4.9273818 ] [ 4.2989586 4.078566 1.8927123 ] [ 3.5232345 4.7451456 4.2160503 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1021824e-10 1.5120665e-10 3.0287221e-10 ] [ 1.7978959e-10 3.9874319e-10 2.317379e-10 ] [ 1.4038396e-10 3.3032904e-10 4.832905300000001e-10 ] [ 4.582142e-10 1.7749016e-10 2.5546991e-10 ] [ 3.8275201e-10 2.269784e-10 4.927381800000001e-10 ] [ 4.2989586e-10 4.078566e-10 1.8927123e-10 ] [ 3.5232345e-10 4.7451456e-10 4.2160503e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 7.5e-06 -2.11e-05 ] [ 1.11e-05 -1.49e-05 -2.69e-05 ] [ 6.34e-05 -1.7e-06 2.08e-05 ] [ -3.28e-05 3.72e-05 2.84e-05 ] [ -1.69e-05 5e-07 8.7e-06 ] [ 1.3e-06 2e-06 4e-07 ] [ -1.95e-05 -3.05e-05 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.057436569728e-14 1.2016324656e-14 -3.380592669888e-14 ] [ 1.778416049088e-14 -2.387243164992e-14 -4.309855109952001e-14 ] [ 1.0157799775872e-13 -2.72370025536e-15 3.332527371264e-14 ] [ -5.255139316223999e-14 5.960097029376001e-14 4.550181603071999e-14 ] [ -2.707678489152e-14 8.010883104e-16 1.393893660096e-14 ] [ 2.08282960704e-15 3.2043532416e-15 6.408706483200001e-16 ] [ -3.12424441056e-14 -4.88663869344e-14 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.011061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.725472422920267e-18 } }