{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] "source-value" [ 5.59774 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] "source-value" [ -0.20689 5.51351 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] "source-value" [ 0.513105 0.215809 5.94806 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.856645987436067e-09 1.478018186618373e-09 -5.372380513062985e-09 ] [ 7.941065053395399e-10 2.843168157266573e-10 -5.994978016587437e-09 ] [ 1.290900940381114e-09 9.683338721618407e-09 -2.147811807950041e-09 ] [ 2.781550046607226e-10 5.763215157505613e-10 1.686918946627354e-10 ] [ 3.608712499769449e-09 -2.801106855311359e-09 6.025168151088495e-09 ] [ -6.308730982497404e-09 -4.656773452347852e-09 7.320385835939031e-09 ] [ -1.617903266074449e-09 -4.261793015681242e-10 -2.810692357598281e-09 ] [ -9.018866890150388e-10 -4.137935790704325e-09 2.81161665329082e-09 ] ] "source-value" [ [ 1.7829782 0.9225064 -3.3531762 ] [ 0.4956423 0.1774566 -3.741771 ] [ 0.805717 6.0438647 -1.3405587 ] [ 0.1736107 0.3597116 0.1052892 ] [ 2.2523812 -1.7483134 3.7606142 ] [ -3.9376002 -2.9065294 4.5690255 ] [ -1.0098158 -0.2660002 -1.7542962 ] [ -0.5629134 -2.5826964 1.7548731 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.913302757634002e-18 "source-value" -30.666424 } }