{ "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" [ [ -20.2730244 25.3663303 24.4415285 ] [ -6.7981581 5.2101677 -5.9317805 ] [ 1.1411797 -2.5056887 -4.00853 ] [ 24.1927001 -16.9122109 -25.9112883 ] [ -4.1088241 5.5355964 16.2303687 ] [ 15.2391671 -22.7483179 -16.282599 ] [ -14.3642085 16.2121914 23.6493413 ] [ 4.9711682 -10.1580684 -12.1870407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.248096599419187e-08 4.064134169698621e-08 3.915964586194507e-08 ] [ -1.089185006205783e-08 8.347608948161522e-09 -9.503760115116836e-09 ] [ 1.828371450535129e-09 -4.014555887217835e-09 -6.42237310268802e-09 ] [ 3.876097881358946e-08 -2.709634913326011e-08 -4.151446067109758e-08 ] [ -6.583061966236078e-09 8.869003207334515e-09 2.600391749234495e-08 ] [ 2.441583744924154e-08 -3.644682340218395e-08 -2.608759965859176e-08 ] [ -2.301399922460419e-08 2.597479424701574e-08 3.789042204035118e-08 ] [ 7.964689533723838e-09 -1.627501983705376e-08 -1.9525791847147e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.012385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.648296534361208e-18 } }