{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7807357 1.5569274 -3.3494124 ] [ -1.0469877 0.3676352 0.7931182 ] [ -0.5644836 -0.8488169 -2.1041654 ] [ -2.147487 -1.5415235 4.8417525 ] [ 4.7019532 2.3627366 -2.9358478 ] [ -0.4245954 -2.3028529 -0.0832029 ] [ -0.0814363 1.2882557 -0.086491 ] [ -2.2176989 -0.8823616 2.9242488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.853053129869633e-09 2.494472701114372e-09 -5.366350284909861e-09 ] [ -1.677459229025402e-09 5.890165272759168e-10 1.270715448040139e-09 ] [ -9.044024341962023e-10 -1.359954603724315e-09 -3.371244637951263e-09 ] [ -3.440653493218757e-09 -2.469792932461899e-09 7.757342723111085e-09 ] [ 7.533359551201528e-09 3.785521372816604e-09 -4.703746746140304e-09 ] [ -6.802768287838836e-10 -3.689577107919138e-09 -1.333057422610386e-10 ] [ -1.304753370194142e-10 2.064013181157313e-09 -1.38573859251294e-10 ] [ -3.553145358827502e-09 -1.413699138258854e-09 4.685163099362538e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.519158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.690796500695416e-18 } }