{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0544977 -0.3696775 0.638552 ] [ -1.488551 1.2126089 -0.1002899 ] [ -0.153365 -1.17127 -0.5777875 ] [ 0.1001298 1.4705381 -0.2788709 ] [ -1.9411309 -0.7931194 1.761632 ] [ 1.1968 -0.9249399 -0.1569163 ] [ 1.2316194 0.5758596 -1.2863194 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.689491561627372e-09 -5.922886477357919e-10 1.023073085565082e-09 ] [ -2.384921611068461e-09 1.942813629754005e-09 -1.606821330823699e-10 ] [ -2.45717817448992e-10 -1.876581410644416e-09 -9.257176242904801e-10 ] [ 1.604256246053799e-10 2.356061763815652e-09 -4.468004362014547e-10 ] [ -3.110034545892463e-09 -1.270717360182924e-09 2.822445604853146e-09 ] [ 1.91748497977344e-09 -1.48191708342509e-09 -2.51407627282439e-10 ] [ 1.973271808403724e-09 9.226287879832397e-10 -2.060910869561483e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.735448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.161967338661412e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.155505 2.8683488 1.4774594 ] [ 1.9431473 2.8573547 3.7717879 ] [ 2.3280619 0.6584818 4.3789277 ] [ 4.1533083 0.1291714 2.8330688 ] [ 4.3327622 2.1643695 1.7479082 ] [ 4.6419026 1.1862775 4.9891224 ] [ 4.3003186 3.1948059 3.8980777 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.155505e-10 2.8683488e-10 1.4774594e-10 ] [ 1.9431473e-10 2.8573547e-10 3.7717879e-10 ] [ 2.3280619e-10 6.584818000000001e-11 4.378927700000001e-10 ] [ 4.1533083e-10 1.291714e-11 2.8330688e-10 ] [ 4.3327622e-10 2.1643695e-10 1.7479082e-10 ] [ 4.6419026e-10 1.1862775e-10 4.9891224e-10 ] [ 4.3003186e-10 3.1948059e-10 3.8980777e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.34e-05 -3.6e-05 -1.47e-05 ] [ 2.16e-05 9e-07 5e-07 ] [ -8e-06 4.5e-06 -1.53e-05 ] [ -4.02e-05 -2.7e-06 -8e-07 ] [ -2.17e-05 5.07e-05 2e-06 ] [ 4.05e-05 4.4e-06 2.8e-05 ] [ -1.56e-05 -2.19e-05 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.749093292672001e-14 -5.76783583488e-14 -2.355199632576e-14 ] [ 3.460701500928e-14 1.44195895872e-15 8.010883104e-16 ] [ -1.28174129664e-14 7.2097947936e-15 -2.451330229824e-14 ] [ -6.440750015616e-14 -4.32587687616e-15 -1.28174129664e-15 ] [ -3.476723267136e-14 8.123035467456e-14 3.2043532416e-15 ] [ 6.488815314240001e-14 7.04957713152e-15 4.48609453824e-14 ] [ -2.499395528448e-14 -3.508766799552e-14 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }