{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 854.0050875 -2491.2967463 -1015.8260397 ] [ -967.0848656 2250.9108242 941.4923163 ] [ 2.7382066 -28.5383272 -10.6953254 ] [ 190.2889679 77.2909187 -236.9540078 ] [ -79.9473964 191.6333307 321.9830566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.368266985236758e-06 -3.991497402396969e-06 -1.627532731607193e-06 ] [ -1.54944076199383e-06 3.606356698038899e-06 1.508436977838699e-06 ] [ 4.387090597440257e-09 -4.572344063658073e-08 -1.713580030772841e-08 ] [ 3.048765355655417e-07 1.238337029412936e-07 -3.796421715020208e-07 ] [ -1.280898494059101e-07 3.070304422135749e-07 5.158737255782431e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 674.37211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.080463228361566e-16 } "relaxed-configuration-positions" { "source-value" [ [ 1.4068568 -0.7788883 -0.2236639 ] [ 0.0537961 1.0762735 0.7409946 ] [ -0.1256697 0.8858174 3.3104655 ] [ 0.890637 3.3826585 -0.0658059 ] [ 1.4308279 2.7687397 2.4071292 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4068568e-10 -7.788883e-11 -2.236639e-11 ] [ 5.37961e-12 1.0762735e-10 7.409945999999999e-11 ] [ -1.256697e-11 8.858174e-11 3.3104655e-10 ] [ 8.90637e-11 3.3826585e-10 -6.58059e-12 ] [ 1.4308279e-10 2.7687397e-10 2.4071292e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.55e-05 2.4e-06 2.27e-05 ] [ -0.0001355 4.29e-05 4.48e-05 ] [ 1.8e-05 -6.6e-06 -7.6e-05 ] [ 8.7e-06 -3.22e-05 1.46e-05 ] [ 4.33e-05 -6.5e-06 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.049425686624e-13 3.84522388992e-15 3.636940929216e-14 ] [ -2.170949321184e-13 6.873337703232e-14 7.177751261183999e-14 ] [ 2.88391791744e-14 -1.057436569728e-14 -1.217654231808e-13 ] [ 1.393893660096e-14 -5.159008718975999e-14 2.339177866368e-14 ] [ 6.937424768064e-14 -1.04141480352e-14 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.741214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.522020505380965e-18 } }