{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5022565 0.2775926 -0.3658651 ] [ 0.0810047 -4.0991301 2.2266887 ] [ -3.9962717 0.4707402 -1.8546804 ] [ -1.0443331 -0.5659676 -3.1184497 ] [ -0.1839358 0.953269 2.9337874 ] [ 2.1578865 0.6310249 -3.0198724 ] [ 2.4833929 2.332471 3.1983915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.047036219448352e-10 4.447523738270861e-10 -5.861805095866542e-10 ] [ 1.297838365149178e-10 -6.567530411837566e-09 3.567548576939545e-09 ] [ -6.402733088104671e-09 7.542089429107162e-10 -2.971525575935992e-09 ] [ -1.673206077147588e-09 -9.067800568502861e-10 -4.996307202480774e-09 ] [ -2.946976384881447e-10 1.527305305133395e-09 4.700445582677618e-09 ] [ 3.457315300639939e-09 1.011013341922658e-09 -4.838368957079186e-09 ] [ 3.978834044640713e-09 3.737030504893996e-09 5.124388085465444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.948411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.196087772630955e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7769549 2.1442928 1.5026932 ] [ 2.8098101 2.2589947 3.843643 ] [ 2.0873702 4.2084092 2.584716 ] [ 4.9856617 2.8599445 1.4290533 ] [ 5.018705 2.9754553 3.7851532 ] [ 4.032378 4.9766286 1.3462497 ] [ 4.065205 5.0913949 3.6871915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7769549e-10 2.1442928e-10 1.5026932e-10 ] [ 2.8098101e-10 2.2589947e-10 3.843643e-10 ] [ 2.0873702e-10 4.2084092e-10 2.584716e-10 ] [ 4.9856617e-10 2.8599445e-10 1.4290533e-10 ] [ 5.018705e-10 2.9754553e-10 3.7851532e-10 ] [ 4.032378e-10 4.9766286e-10 1.3462497e-10 ] [ 4.065205e-10 5.091394900000001e-10 3.6871915e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.42e-05 -3.07e-05 3.23e-05 ] [ 7.3e-06 2.14e-05 -4.02e-05 ] [ 3.13e-05 2.9e-06 2.19e-05 ] [ -4.94e-05 3.56e-05 1.46e-05 ] [ -7.01e-05 1.04e-05 -3.16e-05 ] [ 2e-06 -1.88e-05 1.52e-05 ] [ 2.47e-05 -2.09e-05 -1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.683797284736e-14 -4.918682225856e-14 5.175030485184e-14 ] [ 1.169588933184e-14 3.428657968511999e-14 -6.440750015616e-14 ] [ 5.014812823104e-14 4.646312200320001e-15 3.508766799552e-14 ] [ -7.914752506752001e-14 5.703748770048e-14 2.339177866368e-14 ] [ -1.1231258111808e-13 1.666263685632e-14 -5.062878121728e-14 ] [ 3.2043532416e-15 -3.012092047104e-14 2.435308463616e-14 ] [ 3.957376253376001e-14 -3.348549137472e-14 -1.954655477376e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }