{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2465509 -0.3264479 -0.0064448 ] [ -3.2672322 1.1939393 -0.4830763 ] [ -1.2393901 -1.0520972 0.7596151 ] [ -1.6775813 0.7935262 1.4289208 ] [ 1.9000699 -0.5741145 -1.0972293 ] [ 2.3750906 -0.3535787 -0.7053224 ] [ 0.6624921 0.3187727 0.103537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.997194708617199e-09 -5.230271932892564e-10 -1.032570788573184e-11 ] [ -5.23468304556495e-09 1.912901633114318e-09 -7.73973553922567e-10 ] [ -1.985721842270974e-09 -1.685645536649142e-09 1.217037554026654e-09 ] [ -2.687781538351271e-09 1.271369125632265e-09 2.289383498734833e-09 ] [ 3.044247571665794e-09 -9.198328295622816e-10 -1.757955132116749e-09 ] [ 3.805314631601844e-09 -5.66495526752857e-10 -1.130051059406546e-09 ] [ 1.061429354084696e-09 5.107301672892922e-10 1.658845607877696e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.293401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.732014250111935e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1529721 2.7035259 1.0796389 ] [ 1.7832369 4.9230854 1.9058015 ] [ 2.225253 3.0489904 3.4505301 ] [ 4.4700006 3.0767328 0.8694132 ] [ 4.6057761 2.8964711 3.2148675 ] [ 4.0224579 5.3696815 1.1763217 ] [ 3.6418723 5.0692918 3.5237913 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1529721e-10 2.7035259e-10 1.0796389e-10 ] [ 1.7832369e-10 4.9230854e-10 1.9058015e-10 ] [ 2.225253e-10 3.0489904e-10 3.4505301e-10 ] [ 4.4700006e-10 3.0767328e-10 8.694132e-11 ] [ 4.6057761e-10 2.8964711e-10 3.2148675e-10 ] [ 4.0224579e-10 5.369681500000001e-10 1.1763217e-10 ] [ 3.6418723e-10 5.0692918e-10 3.5237913e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.39e-05 6.3e-06 3.7e-06 ] [ 8e-07 3.5e-06 1.86e-05 ] [ -1.29e-05 2e-05 4.1e-06 ] [ 2.21e-05 -1.14e-05 -4.92e-05 ] [ 3.1e-06 1.9e-06 9.8e-06 ] [ -7.8e-06 -2.18e-05 4e-06 ] [ -1.93e-05 1.5e-06 8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.227025502912e-14 1.009371271104e-14 5.928053496960001e-15 ] [ 1.28174129664e-15 5.6076181728e-15 2.980048514688e-14 ] [ -2.066807840832e-14 3.2043532416e-14 6.568924145279999e-15 ] [ 3.540810331968e-14 -1.826481347712e-14 -7.882708974336e-14 ] [ 4.96674752448e-15 3.04413557952e-15 1.570133088384e-14 ] [ -1.249697764224e-14 -3.492745033344e-14 6.4087064832e-15 ] [ -3.092200878144e-14 2.4032649312e-15 1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }