{ "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" [ [ -2.2626502 -2.0933949 -2.4769047 ] [ 0.4459985 0.3079959 5.352293 ] [ -1.6486105 -6.1532942 -5.9718552 ] [ -0.5095988 0.7373401 10.0966147 ] [ 2.280452 1.6281408 -7.3417027 ] [ 1.0007562 1.3551802 5.027502 ] [ 1.5152651 1.3566179 -3.9318091 ] [ -0.8216124 2.8614142 -0.754138 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.625165251488444e-09 -3.353988366881954e-09 -3.968438802289637e-09 ] [ 7.145683696118689e-10 4.934638302822548e-10 8.575318712271495e-09 ] [ -2.641365199905398e-09 -9.858664108144241e-09 -9.567966784242909e-09 ] [ -8.16467283347735e-10 1.181349069798334e-09 1.617656002156561e-08 ] [ 3.653686879256601e-09 2.608569125130608e-09 -1.176270442280424e-08 ] [ 1.603388186760649e-09 2.171238033411068e-09 8.054946165425241e-09 ] [ 2.427722317534174e-09 2.173541482738792e-09 -6.29945261746869e-09 ] [ -1.316368178639378e-09 4.584490933665136e-09 -1.20826227245687e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.764056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.448292142178196e-18 } }