{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.2948228 5.9812009 1.207341 ] [ 8.4165798 2.0247674 -3.5276269 ] [ 5.4241524 -4.1440946 7.6442138 ] [ -8.0764135 3.0011607 4.7304003 ] [ -4.9752654 2.3330329 -6.3338216 ] [ -3.5507823 -5.8961955 1.6725398 ] [ -2.5330938 -3.2998717 -5.3930464 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.483241301438794e-09 9.582940246287918e-09 1.934373523533293e-09 ] [ 1.348484738265754e-08 3.244034990838002e-09 -5.651881346085179e-09 ] [ 8.690450162936209e-09 -6.639571482503527e-09 1.224738063475673e-08 ] [ -1.29398408896135e-08 4.808389508803763e-09 7.578936767685307e-09 ] [ -7.971253906155159e-09 3.737930767937224e-09 -1.014790088783805e-08 ] [ -5.688980386610452e-09 -9.446746581766167e-09 2.679704164917508e-09 ] [ -4.058463664653431e-09 -5.286977289379552e-09 -8.640612856969605e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.618659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.546520609324751e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.70338 1.5941524 2.5573055 ] [ 1.9519042 2.8758777 4.1933757 ] [ 2.6055591 3.7818297 2.2911928 ] [ 4.5668189 2.7726993 2.4870266 ] [ 3.909363 1.868701 4.3888286 ] [ 4.4717795 4.9657762 2.2208593 ] [ 3.8138852 4.0569107 4.1262726 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70338e-10 1.5941524e-10 2.5573055e-10 ] [ 1.9519042e-10 2.8758777e-10 4.1933757e-10 ] [ 2.6055591e-10 3.7818297e-10 2.2911928e-10 ] [ 4.566818900000001e-10 2.7726993e-10 2.4870266e-10 ] [ 3.909363e-10 1.868701e-10 4.3888286e-10 ] [ 4.4717795e-10 4.9657762e-10 2.2208593e-10 ] [ 3.8138852e-10 4.0569107e-10 4.1262726e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.69e-05 9.64e-05 -1.79e-05 ] [ 1.23e-05 -8.1e-06 -6.17e-05 ] [ -8.63e-05 -4.95e-05 2.2e-06 ] [ 3.72e-05 -1.1e-06 -5.01e-05 ] [ 6.74e-05 -7.2e-06 7.5e-05 ] [ 2.58e-05 -5.75e-05 3.52e-05 ] [ -1.94e-05 2.69e-05 1.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.912031730752001e-14 1.5444982624512e-13 -2.867896151232001e-14 ] [ 1.970677243584e-14 -1.297763062848e-14 -9.885429750336e-14 ] [ -1.3826784237504e-13 -7.930774272959999e-14 3.52478856576e-15 ] [ 5.960097029376001e-14 -1.76239428288e-15 -8.026904870208e-14 ] [ 1.0798670424192e-13 -1.153567166976e-14 1.2016324656e-13 ] [ 4.133615681664e-14 -9.212515569600001e-14 5.639661705216e-14 ] [ -3.108222644352e-14 4.309855109952001e-14 2.771765553984e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }