{ "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" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 37.4394549 -5.7667351 -11.9026189 ] [ -17.6620456 -19.7380717 12.6777988 ] [ -8.3678589 19.5483206 12.2247491 ] [ -2.8085525 15.8836422 13.0679102 ] [ -21.9690692 -31.4218286 -9.6559023 ] [ 13.3680713 21.4946726 -16.411937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.998461933627601e-08 -9.23932815556675e-09 -1.907009772787222e-08 ] [ -2.829771653582351e-08 -3.162387701741411e-08 2.03120728405663e-08 ] [ -1.340678789573321e-08 3.131986224122303e-08 1.958620720316584e-08 ] [ -4.499797153789392e-09 2.544840018599228e-08 2.093710020515385e-08 ] [ -3.519832905297736e-08 -5.034331916570479e-08 -1.547046091778895e-08 ] [ 2.141801130204746e-08 3.443826191147035e-08 -2.629482176344249e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 309.10301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.952376160409086e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.1103289 0.1597373 0.3619983 ] [ -0.2117827 -0.2013522 2.5500325 ] [ 1.3011834 2.892702 1.6508233 ] [ 0.5680997 2.400343 3.1062138 ] [ 2.1103289 0.1597373 0.3619983 ] [ 2.8559286 3.0074184 -0.156944 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1103289e-10 1.597373e-11 3.619983e-11 ] [ -2.117827e-11 -2.013522e-11 2.5500325e-10 ] [ 1.3011834e-10 2.892702e-10 1.6508233e-10 ] [ 5.680997e-11 2.400343e-10 3.1062138e-10 ] [ 2.1103289e-10 1.597373e-11 3.619983e-11 ] [ 2.8559286e-10 3.0074184e-10 -1.56944e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.8400013 4.7414945924560026e+116 -9.482989184912005e+116 ] [ -12.0274501 -12.4738406 7.3432216 ] [ -9.097003 11.4313065 13.6366861 ] [ -1.3212635 10.9164454 6.5178874 ] [ 4.8400013 -4.7414945924560026e+116 9.482989184912005e+116 ] [ 12.7657141 13.402703 -13.6178955 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.754536927501607e-09 7.596711783682632e+107 -1.519342356736526e+108 ] [ -1.927009935805862e-08 -1.998529578090585e-08 1.176513796887357e-08 ] [ -1.457500552594746e-08 1.831497201949908e-08 2.184837965460833e-08 ] [ -2.116897489616381e-09 1.74900736021197e-08 1.04428068092869e-08 ] [ 7.754536927501607e-09 -7.596711783682632e+107 1.519342356736526e+108 ] [ 2.045292867883691e-08 2.147349740212602e-08 -2.181827379459753e-08 ] ] } "relaxed-potential-energy" { "source-value" -1.0966909e+100 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.757092520224111e+81 } }