{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6273364 8.0306904 0.3196493 ] [ 2.0614941 -1.1904864 -1.3722988 ] [ -4.1606323 -8.6848689 -1.1883818 ] [ 2.2007801 -2.9335718 1.5379034 ] [ 1.8214749 2.5338583 -8.550268 ] [ 8.6454724 4.7170816 1.7699389 ] [ -1.9412528 -2.4727032 7.483457 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.382251667985684e-08 1.2866584407763e-08 5.121346353150855e-10 ] [ 3.302877650937137e-09 -1.907369477460357e-09 -2.198665054111895e-09 ] [ -6.666067798805331e-09 -1.391469390629301e-08 -1.903997536544221e-09 ] [ 3.526038423741886e-09 -4.700100153398174e-09 2.463992872528831e-09 ] [ 2.918324500154018e-09 4.059688528680032e-09 -1.369903949117438e-08 ] [ 1.385157375505167e-08 7.557597857925858e-09 2.83575472582447e-09 ] [ -3.110229851222538e-09 -3.961707257217347e-09 1.198981984816211e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.592501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.337976394120062e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3067578 5.5734684 3.4073178 ] [ 5.5141814 2.8636686 1.6482216 ] [ 3.0514188 2.5369801 1.9299988 ] [ 5.5512113 3.1435608 4.1325004 ] [ 3.7412378 4.7831191 1.0753851 ] [ 5.7158869 5.2622725 2.8151989 ] [ 3.1278459 3.2962405 4.2375324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3067578e-10 5.5734684e-10 3.4073178e-10 ] [ 5.5141814e-10 2.8636686e-10 1.6482216e-10 ] [ 3.0514188e-10 2.5369801e-10 1.9299988e-10 ] [ 5.5512113e-10 3.1435608e-10 4.1325004e-10 ] [ 3.7412378e-10 4.783119100000001e-10 1.0753851e-10 ] [ 5.7158869e-10 5.2622725e-10 2.8151989e-10 ] [ 3.1278459e-10 3.2962405e-10 4.2375324e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 6.7e-06 1.44e-05 ] [ 4.07e-05 3.3e-06 2.4e-06 ] [ -2.64e-05 -1e-05 -4e-07 ] [ -5.6e-06 1.2e-06 -5.2e-06 ] [ -3.8e-06 1.53e-05 -3.52e-05 ] [ 5.6e-06 -8.2e-06 -4.3e-06 ] [ -6.9e-06 -8.3e-06 2.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 1.073458335936e-14 2.307134333952e-14 ] [ 6.520858846656e-14 5.28718284864e-15 3.84522388992e-15 ] [ -4.229746278912e-14 -1.6021766208e-14 -6.408706483200001e-16 ] [ -8.972189076479999e-15 1.92261194496e-15 -8.33131842816e-15 ] [ -6.08827115904e-15 2.451330229824e-14 -5.639661705216e-14 ] [ 8.972189076479999e-15 -1.313784829056e-14 -6.889359469440001e-15 ] [ -1.105501868352e-14 -1.329806595264e-14 4.518138070656001e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }