{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.129315 -1.7450532 -2.5682735 ] [ -2.7329016 -0.7679067 0.0474847 ] [ -0.2939862 1.2602901 0.6790205 ] [ -1.5180114 3.4073326 0.094763 ] [ -0.6370309 -2.6920485 -1.9797402 ] [ 9.3267913 -2.2285307 5.4488289 ] [ 0.9844539 2.7659165 -1.7220835 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.218068573718753e-09 -2.795883439092227e-09 -4.114827757520189e-09 ] [ -4.378591050466913e-09 -1.23032216169568e-09 7.607887618570176e-11 ] [ -4.710178164778329e-10 2.019207333645694e-09 1.087910770143926e-09 ] [ -2.432122375187877e-09 5.459148631009678e-09 1.518270631168704e-10 ] [ -1.020636014707183e-09 -4.313137168759709e-09 -3.171893463697916e-09 ] [ 1.494316696794084e-08 -3.570499786275059e-09 8.729986274319382e-09 ] [ 1.577269022835381e-09 4.431486751384963e-09 -2.759081922765437e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.841215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736954121406627e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6747915 0.7049749 3.315555 ] [ 0.8487076 2.3007231 4.5954336 ] [ 3.4282729 4.8083086 2.9083723 ] [ 1.8793792 4.240162 4.3631875 ] [ 3.723605 0.9427225 2.5380199 ] [ 5.5251397 2.0717481 3.1115438 ] [ 4.9301571 4.1318027 1.447345 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6747915e-10 7.049749e-11 3.315555e-10 ] [ 8.487076e-11 2.3007231e-10 4.5954336e-10 ] [ 3.4282729e-10 4.8083086e-10 2.9083723e-10 ] [ 1.8793792e-10 4.240162e-10 4.363187500000001e-10 ] [ 3.723605e-10 9.427225000000001e-11 2.5380199e-10 ] [ 5.525139700000001e-10 2.0717481e-10 3.1115438e-10 ] [ 4.9301571e-10 4.1318027e-10 1.447345e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.095763 0.1171673 0.1338567 ] [ 0.2688164 0.4218634 -0.2436146 ] [ 0.3884104 0.1213651 -0.2524714 ] [ -0.6134233 -0.5593277 0.2862441 ] [ 0.0170784 -0.0827158 0.1681987 ] [ -0.0486224 -0.1665057 -0.2013803 ] [ -0.1080225 0.1481535 0.1091667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.534292397376704e-10 1.877227087822598e-10 2.144620752774394e-10 ] [ 4.306913513676211e-10 6.758996766511987e-10 -3.903136166055437e-10 ] [ 6.223020621555764e-10 1.944483258010541e-10 -4.045037745006452e-10 ] [ -9.828124699139847e-10 -8.961417643058362e-10 4.586136048619373e-10 ] [ 2.736261320067072e-11 -1.325253209307686e-10 2.69484024788953e-10 ] [ -7.790167252718593e-11 -2.667715397699386e-10 -3.226468085496902e-10 ] [ -1.73071124020368e-10 2.373680739896928e-10 1.749043345098874e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.741205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.522019063422007e-18 } }