{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2926595 -3.1737125 -3.1297652 ] [ 0.720775 0.3463158 5.2725212 ] [ -4.6328824 -8.0081916 -7.0970865 ] [ -1.2481703 1.8744729 12.7667892 ] [ 3.2252637 2.9104939 -7.3831549 ] [ 2.2688074 2.6811722 3.1118663 ] [ 2.1493972 1.924695 -3.3584774 ] [ -0.1905312 1.4447543 -0.1826928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.673245450355018e-09 -5.084847968640721e-09 -5.014436632033437e-09 ] [ 1.15480885385712e-09 5.548590781736486e-10 8.447510199312361e-09 ] [ -7.422695868195793e-09 -1.283053735640695e-08 -1.13707860660953e-08 ] [ -1.999789273436922e-09 3.003236656703177e-09 2.045465117892194e-08 ] [ 5.167442096054906e-09 4.663125281561014e-09 -1.182911816852496e-08 ] [ 3.635030173378034e-09 4.295711415178901e-09 4.985759432915399e-09 ] [ 3.443713942652982e-09 3.083701331170656e-09 -5.38087397176517e-09 ] [ -3.05264634172969e-10 2.314751562260269e-09 -2.927061329484902e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.409896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.750678806655944e-18 } }