{ "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" [ [ -1.4928709 2.2254036 2.3533975 ] [ -1.3758198 0.991947 -0.52406 ] [ 0.2381213 -0.5552435 -1.0652876 ] [ 2.5166881 -1.2372095 -2.2024666 ] [ -0.1777488 1.0198404 0.9484722 ] [ 0.7171705 -1.9989443 -1.7280007 ] [ -0.5590036 1.1615996 3.7200181 ] [ 0.1334632 -1.6073933 -1.5020728 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.39184287355855e-09 3.565489649139482e-09 3.770558485014014e-09 ] [ -2.204306336154553e-09 1.589274305566398e-09 -8.396366868140398e-10 ] [ 3.815123829177042e-10 -8.895981618803789e-10 -1.706778901209938e-09 ] [ 4.032178868885855e-09 -1.982228152262823e-09 -3.528740523685424e-09 ] [ -2.847849740815392e-10 1.633964459289214e-09 1.519619996838575e-09 ] [ 1.149033817694097e-09 -3.202661850127486e-09 -2.768562345075643e-09 ] [ -8.956225062418824e-10 1.861087737183746e-09 5.960126077877075e-09 ] [ 2.138316205388688e-10 -2.575327986908152e-09 -2.406585942726955e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.743193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.726690864915235e-18 } }