{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7617602 -3.9300148 4.9042055 ] [ -2.0691077 1.855802 0.1892441 ] [ -5.5479245 2.3572236 -5.311332 ] [ 1.2193256 4.9977472 1.7623776 ] [ 5.6461271 -3.6509593 -3.1485467 ] [ 0.8045319 -0.9586805 0.6856077 ] [ 1.7088079 -0.6711183 0.9184439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.822651027151167e-09 -6.296577883834182e-09 7.857403460434287e-09 ] [ -3.315076010169482e-09 2.973322601730467e-09 3.032024751423594e-10 ] [ -8.88875500109613e-09 3.776688573033362e-09 -8.509692025816486e-09 ] [ 1.95357498555803e-09 8.007273786478924e-09 2.823640211004998e-09 ] [ 9.04609291221418e-09 -5.849481682144995e-09 -5.044527953797807e-09 ] [ 1.289002211487624e-09 -1.535975496571437e-09 1.098464637030482e-09 ] [ 2.737812089374609e-09 -1.075250058909802e-09 1.471509356219832e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.44405706491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.474410736357166e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5007845 3.0506226 3.7749346 ] [ 3.1032851 5.339461 0.5910912 ] [ 0.840905 3.9083617 1.6597966 ] [ 2.4783758 5.3356522 3.1503076 ] [ 2.9785714 2.8947121 0.9404958 ] [ 4.8496769 5.1691646 2.192976 ] [ 3.8828003 3.1325586 3.1729511 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5007845e-10 3.0506226e-10 3.7749346e-10 ] [ 3.1032851e-10 5.339461e-10 5.910912000000001e-11 ] [ 8.409050000000001e-11 3.9083617e-10 1.6597966e-10 ] [ 2.4783758e-10 5.335652200000001e-10 3.1503076e-10 ] [ 2.9785714e-10 2.8947121e-10 9.404958e-11 ] [ 4.849676900000001e-10 5.169164600000001e-10 2.192976e-10 ] [ 3.8828003e-10 3.1325586e-10 3.1729511e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-05 1.7e-06 4.77e-05 ] [ -8.5e-06 0.0001068 -0.0001854 ] [ -0.0001018 -6.06e-05 -3.98e-05 ] [ -1.9e-06 5.9e-05 1.68e-05 ] [ 3.7e-06 3.27e-05 3.31e-05 ] [ 2.13e-05 -5.25e-05 0.0001025 ] [ 3.2e-06 -8.72e-05 2.51e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.34582837256e-13 2.7237002778e-15 7.64238254418e-14 ] [ -1.3618501389e-14 1.711124645112e-13 -2.970435479436e-13 ] [ -1.631015813412e-13 -9.709190402039998e-14 -6.376663003319999e-14 ] [ -3.0441356046e-15 9.452842140599998e-14 2.691656745119999e-14 ] [ 5.9280535458e-15 5.23911759318e-14 5.303204658539999e-14 ] [ 3.41263623042e-14 -8.4114273285e-14 1.64223104985e-13 ] [ 5.1269652288e-15 -1.397098024848e-13 4.02146335134e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }