{ "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" [ [ 2.742286 2.30018 2.898395 ] [ 1.359684 3.93311 2.87757 ] [ 2.145194 3.5026 4.929711 ] [ 3.276834 4.602113 2.280609 ] [ 3.311324 5.492688 4.465054 ] [ 4.684796 3.351118 3.565163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.742286e-10 2.30018e-10 2.898395e-10 ] [ 1.359684e-10 3.93311e-10 2.87757e-10 ] [ 2.145194e-10 3.5026e-10 4.929711e-10 ] [ 3.276834e-10 4.602113e-10 2.280609e-10 ] [ 3.311324e-10 5.492688e-10 4.465054e-10 ] [ 4.684796000000001e-10 3.351118e-10 3.565163e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.826176 -1.8453114 0.7337128 ] [ -4.5098648 3.1859023 1.5328723 ] [ 0.9556001 -1.4291625 1.5216242 ] [ 3.9723063 2.1070409 -2.8681742 ] [ -1.140449 -3.2573746 -2.4802926 ] [ -1.1037686 1.2389053 1.5602575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.925856492666061e-09 -2.956514783175717e-09 1.175537494541706e-09 ] [ -7.225599945528868e-09 5.104378181212948e-09 2.455932161731924e-09 ] [ 1.531040139054142e-09 -2.28977074482408e-09 2.437910718883503e-09 ] [ 6.364336284516551e-09 3.37585166904939e-09 -4.595321647621743e-09 ] [ -1.827200725014739e-09 -5.218889429307752e-09 -3.973866816463246e-09 ] [ -1.768432245693147e-09 1.984945107045211e-09 2.499808088927856e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.395127 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.908530214084684e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7637224 2.341998 2.7943932 ] [ 1.1988986 4.0313392 2.9645556 ] [ 2.3469837 3.3784199 4.9080874 ] [ 3.3303952 4.5687423 2.1341065 ] [ 3.3720889 5.4115142 4.3272099 ] [ 4.5080293 3.4497954 3.8881492 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7637224e-10 2.341998e-10 2.7943932e-10 ] [ 1.1988986e-10 4.0313392e-10 2.964555600000001e-10 ] [ 2.3469837e-10 3.3784199e-10 4.908087400000001e-10 ] [ 3.3303952e-10 4.5687423e-10 2.1341065e-10 ] [ 3.3720889e-10 5.411514200000001e-10 4.3272099e-10 ] [ 4.5080293e-10 3.449795400000001e-10 3.8881492e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.47e-05 3.52e-05 7.44e-05 ] [ 5.2e-06 -6.22e-05 -4.21e-05 ] [ -3.04e-05 -2.82e-05 2.26e-05 ] [ 3.19e-05 3.01e-05 -7.7e-05 ] [ 2.1e-05 3.39e-05 7.49e-05 ] [ 1.7e-05 -8.8e-06 -5.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.161729494976001e-14 5.639661705216e-14 1.1920194058752e-13 ] [ 8.33131842816e-15 -9.965538581376e-14 -6.745163573568001e-14 ] [ -4.870616927232e-14 -4.518138070656001e-14 3.620919163008e-14 ] [ 5.110943420352001e-14 4.822551628608e-14 -1.233675998016e-13 ] [ 3.36457090368e-14 5.431378744512e-14 1.2000302889792e-13 ] [ 2.72370025536e-14 -1.409915426304e-14 -8.459492557824e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399929266158e-18 } }