{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7505795 -0.1469885 -4.065442 ] [ 0.6450878 0.7578745 2.1067861 ] [ -0.4178872 0.9903703 0.5402672 ] [ -0.0609317 -0.8657716 0.9894958 ] [ -1.4616732 0.4755562 1.8018041 ] [ 0.7339305 0.6831927 0.9448069 ] [ -0.1916842 2.1884307 -2.4584404 ] [ 0.0025786 -4.0826643 0.1407224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.202560936859403e-09 -2.35501540166709e-10 -6.513556179282227e-09 ] [ 1.033544600038465e-09 1.214248815404433e-09 3.375443462255987e-09 ] [ -6.695291074876847e-10 1.58674815366757e-09 8.656034839566046e-10 ] [ -9.762334600989779e-11 -1.387119027900794e-09 1.585347050201137e-09 ] [ -2.341858647584009e-09 7.619250317938307e-10 2.886808428065399e-09 ] [ 1.175886298079937e-09 1.094595380459372e-09 1.513747538821974e-09 ] [ -3.071119463469828e-10 3.506252532668263e-09 -3.938855764961614e-09 ] [ 4.1313726684324e-12 -6.541149345925966e-09 2.254621411604016e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.551315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.695948620097371e-18 } }