{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4485486 0.497639 -3.1174049 ] [ 2.5881271 -1.2129503 2.3941008 ] [ 0.1478246 1.5664224 -1.2626615 ] [ 1.1520826 0.5464197 0.8287592 ] [ -0.5990784 0.5905272 0.2857965 ] [ -2.8404074 -1.988058 0.8714099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.186540802125709e-10 7.973055713982912e-10 -4.994633248347362e-09 ] [ 4.146636731278903e-09 -1.943360612852346e-09 3.835772329598577e-09 ] [ 2.368411180991117e-10 2.509685347577426e-09 -2.023006735284259e-09 ] [ 1.845839806950478e-09 8.754608684845496e-10 1.327818614512911e-09 ] [ -9.598294065062708e-10 9.461288737864859e-10 4.578964706064672e-10 ] [ -4.550834329827314e-09 -3.185220048394407e-09 1.396152568913666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.783426 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.009436599572686e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1894098 2.1227822 0.7442004 ] [ 3.0344536 2.7886595 2.9443774 ] [ 2.6972084 4.4426883 1.2167335 ] [ 3.8102772 0.7251604 1.8774447 ] [ 5.3593167 2.1472276 3.0779878 ] [ 4.5125215 2.8742399 0.9358623 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1894098e-10 2.1227822e-10 7.442004e-11 ] [ 3.0344536e-10 2.7886595e-10 2.9443774e-10 ] [ 2.6972084e-10 4.442688300000001e-10 1.2167335e-10 ] [ 3.8102772e-10 7.251604e-11 1.8774447e-10 ] [ 5.3593167e-10 2.1472276e-10 3.0779878e-10 ] [ 4.5125215e-10 2.8742399e-10 9.358623e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.66e-05 -2.01e-05 4.58e-05 ] [ -3e-06 1.46e-05 -4.94e-05 ] [ -5.94e-05 2.8e-06 -2.15e-05 ] [ -5.54e-05 6.16e-05 -2.69e-05 ] [ 4.6e-05 -4.03e-05 -1.6e-05 ] [ 5.2e-06 -1.86e-05 6.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0670496294528e-13 -3.220375007808e-14 7.337968923264e-14 ] [ -4.8065298624e-15 2.339177866368e-14 -7.914752506752001e-14 ] [ -9.516929127552e-14 4.48609453824e-15 -3.44467973472e-14 ] [ -8.876058479231999e-14 9.869407984128002e-14 -4.309855109952001e-14 ] [ 7.37001245568e-14 -6.456771781824e-14 -2.56348259328e-14 ] [ 8.33131842816e-15 -2.980048514688e-14 1.089480102144e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }