{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4788244 0.3164178 0.483277 ] [ 0.0539611 -0.1574786 -1.6833233 ] [ -0.6903554 0.3234186 0.2741427 ] [ -0.6593277 1.1294508 -0.6476635 ] [ 0.8762942 -0.0885506 0.0164881 ] [ 0.3180413 -0.9574416 -1.0812276 ] [ -0.2099348 -1.1495511 1.8647069 ] [ -0.1675032 0.5837349 0.7735997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.671612591485875e-10 5.069572015649703e-10 7.742951107703616e-10 ] [ 8.645521285265088e-11 -2.523085311963149e-10 -2.696981236507905e-09 ] [ -1.106071281923032e-09 5.181737196518669e-10 4.392250247029882e-10 ] [ -1.056359426385836e-09 1.809579666103857e-09 -1.037671317845501e-09 ] [ 1.403978080182639e-09 -1.418737010778124e-10 2.641684834141248e-11 ] [ 5.095583353088391e-10 -1.533990547301345e-09 -1.732317582483694e-09 ] [ -3.363526284523239e-10 -1.841783896834923e-09 2.987589799824444e-09 ] [ -2.683697109491865e-10 9.352464095250258e-10 1.239443353197894e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.453535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.840500152251453e-18 } }