{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.9986023 10.1746382 -18.0256594 ] [ -0.7311429 -1.8108903 -15.5114594 ] [ 36.1095582 54.846123 -42.191315 ] [ -1.0643828 -0.150375 -1.3284141 ] [ 14.9695726 -1.5569662 20.564272 ] [ -52.9417626 -44.1851348 56.2503409 ] [ -1.5360254 -4.8471576 -11.5938636 ] [ -1.8044194 -12.4702372 11.8360986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.121299698333711e-08 1.63015674491386e-08 -2.888029006518375e-08 ] [ -1.171420060843913e-09 -2.901366101493498e-09 -2.485209760516839e-08 ] [ 5.785388993545693e-08 8.787317601212115e-08 -6.759793849380836e-08 ] [ -1.705329237741642e-09 -2.409273093528e-10 -2.128354013761073e-09 ] [ 2.398389924308827e-08 -2.494534845015817e-09 3.294759582217205e-08 ] [ -8.482205430166381e-08 -7.079238996345649e-08 9.012298110201003e-08 ] [ -2.460983984834968e-09 -7.766002584053039e-09 -1.857541720466412e-08 ] [ -2.890998576797964e-09 -1.997952249767045e-08 1.896352045840361e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.640417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.185435721536288e-18 } }