{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8738313 2.8246229 3.0969015 ] [ -1.4651784 1.0843625 -0.6634814 ] [ 0.0545271 -0.4911817 -0.9255621 ] [ 2.6763153 -1.6822315 -2.8768595 ] [ 0.0003545 1.3814894 1.2692291 ] [ 1.0424779 -2.4222567 -2.142504 ] [ -0.5805978 1.5558745 4.0128989 ] [ 0.1459327 -2.2506794 -1.7706225 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.002208700183271e-09 4.525544772956297e-09 4.961783180220451e-09 ] [ -2.347474577781151e-09 1.73734024597224e-09 -1.063014387415653e-09 ] [ 8.736204482002369e-11 -7.869598363047993e-10 -1.482913957718552e-09 ] [ 4.287929803549339e-09 -2.695231980073316e-09 -4.609237032226378e-09 ] [ 5.679716120736e-13 2.213390018563019e-09 2.033529190459025e-09 ] [ 1.67023371908068e-09 -3.88088305431616e-09 -3.432669818770483e-09 ] [ -9.302202212479143e-10 2.492785748798889e-09 6.429372799214037e-09 ] [ 2.338099601502202e-10 -3.605985915596172e-09 -2.836849973762448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.48983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.686097590216647e-18 } }