{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -82.7251097 -115.5448264 -13.1048858 ] [ -14.7941785 51.1798814 24.8304977 ] [ 9.3983978 -10.9057985 -16.9546304 ] [ 30.2958194 -25.5018768 44.0548586 ] [ 57.825071 100.7726203 -38.8258401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.325402367144553e-07 -1.851232195124746e-07 -2.099634164701391e-08 ] [ -2.370288691664201e-08 8.199920943439677e-08 3.978284289776816e-08 ] [ 1.505789322813815e-08 -1.747301538785571e-08 -2.716431244118495e-08 ] [ 4.853925355065908e-08 -4.085851079548192e-08 7.058366448156981e-08 ] [ 9.264597685230008e-08 1.614555362614155e-07 -6.220585329113914e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 53.926598 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.639993455488004e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4452772 1.4083134 1.8589751 ] [ 1.8362 4.0530706 3.0401809 ] [ 3.9858277 1.6437438 0.4331566 ] [ 4.219154 2.1302273 3.4790162 ] [ 4.0436551 4.471373 1.1706954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4452772e-10 1.4083134e-10 1.8589751e-10 ] [ 1.8362e-10 4.0530706e-10 3.0401809e-10 ] [ 3.9858277e-10 1.6437438e-10 4.331566e-11 ] [ 4.219154e-10 2.1302273e-10 3.4790162e-10 ] [ 4.0436551e-10 4.471373e-10 1.1706954e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.29e-05 2.01e-05 -2.07e-05 ] [ 1.04e-05 -1.16e-05 7.1e-06 ] [ 2.73e-05 -1.56e-05 -5.9e-06 ] [ 3.08e-05 1.81e-05 1.35e-05 ] [ -2.57e-05 -1.09e-05 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.873337703232e-14 3.220375007808e-14 -3.316505605055999e-14 ] [ 1.666263685632e-14 -1.858524880128e-14 1.137545400768e-14 ] [ 4.373942174784e-14 -2.499395528448e-14 -9.45284206272e-15 ] [ 4.934703992064001e-14 2.899939683648e-14 2.16293843808e-14 ] [ -4.117593915456e-14 -1.746372516672e-14 9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.044174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929689399964722e-18 } }