{ "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" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6127371 -12.5104746 -0.8248334 ] [ 0.9491236 12.7491182 3.6068105 ] [ -3.5831847 -0.6128635 -1.2759581 ] [ 3.4462528 -0.0679305 -5.9611899 ] [ -2.4912192 -1.5703375 7.2005639 ] [ 3.2917645 2.0124878 -2.7453929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.583889677116792e-09 -2.004398991923223e-08 -1.321528789534975e-09 ] [ 1.520663642169531e-09 2.042633911585578e-08 5.778747458755958e-09 ] [ -5.740894754348261e-09 -9.819155714416608e-10 -2.044310236940389e-09 ] [ 5.521505665526538e-09 -1.088366589392544e-10 -9.55087908992909e-09 ] [ -3.99137315952808e-09 -2.51595802926552e-09 1.153657513715647e-08 ] [ 5.273988123079401e-09 3.224360902805227e-09 -4.398604319290312e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.498942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.84233360363352e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1109993 0.5499265 1.0161158 ] [ 0.9998098 2.8565024 0.3507923 ] [ 0.2535241 2.4185033 2.7599733 ] [ 2.5953507 0.8590038 0.4818838 ] [ 1.8490659 0.4210063 2.8910646 ] [ 2.7378762 2.7275817 2.225742 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.109993e-11 5.499265e-11 1.0161158e-10 ] [ 9.998098e-11 2.8565024e-10 3.507923e-11 ] [ 2.535241e-11 2.4185033e-10 2.7599733e-10 ] [ 2.5953507e-10 8.590038e-11 4.818838e-11 ] [ 1.8490659e-10 4.210063e-11 2.8910646e-10 ] [ 2.7378762e-10 2.7275817e-10 2.225742e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.69e-05 -2.2e-05 -1.63e-05 ] [ -6.5e-06 1.9e-05 -1.79e-05 ] [ -1.45e-05 1.74e-05 1.47e-05 ] [ 1.65e-05 -6.8e-06 -1.5e-05 ] [ 1.06e-05 -2.74e-05 2.72e-05 ] [ 2.07e-05 1.97e-05 7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.309855109952001e-14 -3.52478856576e-14 -2.611547891904e-14 ] [ -1.04141480352e-14 3.04413557952e-14 -2.867896151232001e-14 ] [ -2.32315610016e-14 2.787787320192e-14 2.355199632576e-14 ] [ 2.64359142432e-14 -1.089480102144e-14 -2.4032649312e-14 ] [ 1.698307218048e-14 -4.389963940992e-14 4.357920408576e-14 ] [ 3.316505605055999e-14 3.156287942976e-14 1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.222449 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.239993500312034e-18 } }