{ "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" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.4567089 -9.0895723 -12.9814209 ] [ -25.3681129 -0.3935191 20.1153126 ] [ 185.2781324 354.7818457 475.833326 ] [ -168.5039942 -356.9406286 -497.0465056 ] [ 21.9648686 -5.4301924 18.1635998 ] [ 8.0858149 17.0720668 -4.0843119 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.437743735889128e-08 -1.456310023213128e-08 -2.079852907074449e-08 ] [ -4.064419740219488e-08 -6.304871018582573e-10 3.222828356780366e-08 ] [ 2.96848292076767e-07 5.684231786648131e-07 7.623690303147048e-07 ] [ -2.699731600186588e-07 -5.718819301565759e-07 -7.963562907226563e-07 ] [ 3.519159894986402e-08 -8.700127309725842e-09 2.910129494912756e-08 ] [ 1.295490359289629e-08 2.735246629569587e-08 -6.543789038235229e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 271.80733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.354833494880705e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7123515 0.3686102 1.1548818 ] [ 0.5841253 0.5621338 2.9582757 ] [ 2.3772772 0.534265 0.7488831 ] [ 2.3772772 0.534265 0.7488831 ] [ 2.6115389 0.3277608 2.8712781 ] [ 2.5312538 2.5197029 0.7548533 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.123515000000001e-11 3.686102e-11 1.1548818e-10 ] [ 5.841253e-11 5.621338e-11 2.9582757e-10 ] [ 2.3772772e-10 5.34265e-11 7.488831e-11 ] [ 2.3772772e-10 5.34265e-11 7.488831e-11 ] [ 2.6115389e-10 3.277608e-11 2.8712781e-10 ] [ 2.5312538e-10 2.5197029e-10 7.548533e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -10.4846993 -5.8975743 -13.8435868 ] [ -24.9686485 0.4286618 22.3965284 ] [ 1.8428444 1.130460403551102e+114 1.130460403551102e+114 ] [ 1.8428444 -1.130460403551102e+114 -1.130460403551102e+114 ] [ 23.2963431 -8.3169708 35.4555606 ] [ 8.4713159 38.6257059 -7.2852016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.679834009457813e-08 -9.448955662890924e-09 -2.217987111897549e-08 ] [ -4.000418487967299e-08 6.867919141900454e-10 3.588319418956323e-08 ] [ 2.952562213452204e-09 1.811197229309709e+105 1.811197229309709e+105 ] [ 2.952562213452204e-09 -1.811197229309709e+105 -1.811197229309709e+105 ] [ 3.73248562649554e-08 -1.332525617163627e-08 5.680607027067762e-08 ] [ 1.357254428239131e-08 6.188520295487662e-08 -1.167217968133475e-08 ] ] } "relaxed-potential-energy" { "source-value" -4.1835439e+97 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.702776228670454e+78 } }