{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.401350999999999 19.855390299999996 -11.655936799999997 ] [ -4.723120599999999 -25.807509999999997 5.280503799999999 ] [ -0.5081585999999999 16.890728899999996 -1.2122062999999998 ] [ -1.8072497999999997 -9.583875599999999 -0.6644352999999998 ] [ -4.512123699999999 2.4305151999999994 -10.821395699999998 ] [ -1.7049585999999999 -1.4016055999999997 17.201794699999997 ] [ 17.482049499999995 14.555882699999998 -12.750909499999999 ] [ -8.627789299999998 -16.939525999999997 14.622584899999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.051741730232532e-09 3.181184239761024e-08 -1.867486958834073e-08 ] [ -7.567273464884058e-09 -4.134818950372133e-08 8.460299804108206e-09 ] [ -8.141598352861522e-10 2.706193117480851e-08 -1.942168609447594e-09 ] [ -2.895533401361173e-09 -1.535506154948273e-08 -1.06454271246478e-09 ] [ -7.229219161857623e-09 3.894114662021835e-09 -1.733778733780807e-08 ] [ -2.731644830857352e-09 -2.245619742403549e-09 2.756031353120503e-08 ] [ 2.800933122333137e-08 2.332109514918482e-08 -2.042920926314862e-08 ] [ -1.382324241953521e-08 -2.714011274823548e-08 2.342796385546122e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.505619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.644491709150644e-18 } }