{ "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" [ [ -1.2807516 1.9052275 2.1441271 ] [ -0.9524553 0.6455364 -0.576209 ] [ 0.0864279 -0.3367007 -0.732998 ] [ 2.0247164 -1.1468155 -1.9903538 ] [ -0.1614981 0.8758239 0.9242528 ] [ 0.6587303 -1.6178709 -1.5383636 ] [ -0.5284463 1.0669819 3.05976 ] [ 0.1532767 -1.3921828 -1.2902156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.051990270572193e-09 3.052510957805232e-09 3.435270311643704e-09 ] [ -1.52600161401705e-09 1.034263327955397e-09 -9.231885884945472e-10 ] [ 1.384727607648403e-10 -5.394539897469946e-10 -1.174392258693158e-09 ] [ 3.243953279830341e-09 -1.837400982471062e-09 -3.188898325480439e-09 ] [ -2.587484801236205e-10 1.403224576517877e-09 1.480816227868938e-09 ] [ 1.05540228607257e-09 -2.592114931452655e-09 -2.464730194209723e-09 ] [ -8.466643072082632e-10 1.709493454996764e-09 4.902275937259007e-09 ] [ 2.455763452533753e-10 -2.230522734039883e-09 -2.067153270111445e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.005567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.768727766604799e-18 } }