{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42631e-10 0.0 0.0 ] "source-value" [ 5.42631 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] "source-value" [ -0.0419811 5.40206 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] "source-value" [ -0.291495 -0.184222 5.7849 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -8.055581108020065e-09 -1.157689679573682e-08 -1.226915149133314e-08 ] [ 2.413765276337399e-09 5.365228556845396e-09 1.598004264487645e-08 ] [ -4.51133067854248e-08 -6.545683387784597e-08 -5.338424254131775e-08 ] [ -5.281570423937337e-10 2.317460971100172e-08 8.688284677037302e-08 ] [ 3.409978623877781e-08 2.981793477289246e-08 -3.870887074378989e-08 ] [ 1.14400125930915e-08 1.114636870616686e-08 3.062323808954646e-09 ] [ 6.420135930559801e-09 8.043440935111277e-09 -4.646192998379412e-09 ] [ -6.76655263145568e-10 -5.13852168652583e-10 3.083244550616066e-09 ] ] "source-value" [ [ -5.0278983 -7.2257307 -7.6578021 ] [ 1.5065538 3.3487123 9.9739582 ] [ -28.1575116 -40.8549426 -33.3198237 ] [ -0.3296497 14.4644538 54.2280081 ] [ 21.2834127 18.6108912 -24.160177 ] [ 7.1402943 6.9570162 1.9113522 ] [ 4.0071337 5.020321 -2.8999256 ] [ -0.422335 -0.3207213 1.9244099 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -7.161169694464692e-18 "source-value" -44.696506 } }