{ "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" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.435138 -0.2427863 -0.111204 ] [ -9.4063828 2.812612 2.2094901 ] [ 1.3863506 -5.9059189 -0.868075 ] [ -1.2560996 1.5590951 -1.0344343 ] [ 4.9434289 2.1925631 -2.6460425 ] [ 2.8975649 -0.415565 2.4502657 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.29934455122167e-09 -3.889865337105351e-10 -1.781684489394432e-10 ] [ -1.507068660845524e-08 4.50630118978153e-09 3.539993382109054e-09 ] [ 2.221178519552053e-09 -9.462325185920852e-09 -1.39080947010096e-09 ] [ -2.012493412516232e-09 2.497945718823838e-09 -1.657346451213614e-09 ] [ 7.92024621016706e-09 3.512873338448773e-09 -4.239427431143184e-09 ] [ 4.64241074003069e-09 -6.65808527422752e-10 3.925758419288147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.45407793049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.136219527453415e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9613291 0.7889621 2.7496516 ] [ 0.9841731 2.5716192 1.1880099 ] [ 1.8165267 0.4412696 0.5667933 ] [ 3.2878037 0.4743783 2.424577 ] [ 3.3106476 2.2570412 0.8629401 ] [ 2.4554499 2.6047282 3.0457965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.613291000000001e-11 7.889621e-11 2.7496516e-10 ] [ 9.841731e-11 2.5716192e-10 1.1880099e-10 ] [ 1.8165267e-10 4.412696e-11 5.667933000000001e-11 ] [ 3.2878037e-10 4.743783e-11 2.424577000000001e-10 ] [ 3.3106476e-10 2.2570412e-10 8.629401000000001e-11 ] [ 2.4554499e-10 2.6047282e-10 3.0457965e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.1e-06 -2.13e-05 -3.4e-06 ] [ -6.6e-06 1.36e-05 -1e-07 ] [ 3.9e-06 3.3e-06 1.3e-06 ] [ 2.7e-06 -1.4e-06 3.2e-06 ] [ 2e-06 -1.2e-05 -9.7e-06 ] [ 5.2e-06 1.78e-05 8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.137545400768e-14 -3.412636202304e-14 -5.44740051072e-15 ] [ -1.057436569728e-14 2.178960204288e-14 -1.6021766208e-16 ] [ 6.24848882112e-15 5.28718284864e-15 2.08282960704e-15 ] [ 4.32587687616e-15 -2.24304726912e-15 5.126965186560001e-15 ] [ 3.2043532416e-15 -1.92261194496e-14 -1.554111322176e-14 ] [ 8.33131842816e-15 2.851874385024e-14 1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }