{ "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" [ [ 1.517632 2.497403 2.430037 ] [ 2.356059 3.814055 4.10925 ] [ 3.523853 1.378281 0.7370457 ] [ 5.112372 2.112569 2.363129 ] [ 3.211069 1.305526 3.310768 ] [ 3.335071 3.69898 1.575396 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.517632e-10 2.497403e-10 2.430037e-10 ] [ 2.356059e-10 3.814055e-10 4.109250000000001e-10 ] [ 3.523853e-10 1.378281e-10 7.370457e-11 ] [ 5.112372e-10 2.112569e-10 2.363129e-10 ] [ 3.211069e-10 1.305526e-10 3.310768e-10 ] [ 3.335071e-10 3.69898e-10 1.575396e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9145008 -0.0645965 -0.5581282 ] [ 0.2863577 0.4608874 0.4483943 ] [ -0.2800989 -0.840733 -1.743911 ] [ 1.5518944 0.5649508 0.2353164 ] [ -0.1142864 -2.2857435 2.5486842 ] [ 0.4706341 2.1652348 -0.9303557 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.067368422262897e-09 -1.034950020855072e-10 -8.942199534491865e-10 ] [ 4.587956121260602e-10 7.38423017101298e-10 7.184068643599815e-10 ] [ -4.487679090917971e-10 -1.347002756935046e-09 -2.794053432955949e-09 ] [ 2.486408925630444e-09 9.051509636622566e-10 3.770184345708211e-10 ] [ -1.831069981553971e-10 -3.662164796845565e-09 4.083442239042351e-09 ] [ 7.540389519712494e-10 3.469088575102564e-09 -1.490594151568019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8686959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.581139384876482e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5372805 1.6947899 2.3196851 ] [ 2.3492668 3.6839751 3.4843289 ] [ 3.0652657 2.0426126 0.6601724 ] [ 4.8774837 1.8507228 2.2885507 ] [ 3.3495091 1.5029084 3.9480696 ] [ 3.8772501 4.0318052 1.824819 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5372805e-10 1.6947899e-10 2.3196851e-10 ] [ 2.3492668e-10 3.6839751e-10 3.4843289e-10 ] [ 3.0652657e-10 2.0426126e-10 6.601724e-11 ] [ 4.8774837e-10 1.8507228e-10 2.2885507e-10 ] [ 3.3495091e-10 1.5029084e-10 3.9480696e-10 ] [ 3.8772501e-10 4.0318052e-10 1.824819e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-06 -2.31e-05 -2.65e-05 ] [ 1.22e-05 2.86e-05 -8e-07 ] [ -2.92e-05 -2.3e-06 6.8e-06 ] [ 1.46e-05 1.44e-05 7e-06 ] [ -6e-07 -2.47e-05 1.6e-05 ] [ 9.8e-06 7e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.089480102144e-14 -3.701027994048e-14 -4.24576804512e-14 ] [ 1.954655477376e-14 4.582225135488e-14 -1.28174129664e-15 ] [ -4.678355732736e-14 -3.68500622784e-15 1.089480102144e-14 ] [ 2.339177866368e-14 2.307134333952e-14 1.12152363456e-14 ] [ -9.6130597248e-16 -3.957376253376001e-14 2.56348259328e-14 ] [ 1.570133088384e-14 1.12152363456e-14 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }