{ "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" [ [ 0.219758 0.2025671 -0.5447248 ] [ -0.0437105 0.1828154 -0.0532793 ] [ -0.2634105 -0.2621311 -0.3252137 ] [ -0.2827748 -0.0864268 0.9013469 ] [ 1.0851796 0.4333131 -0.320296 ] [ 0.1189841 -0.5783362 -0.2922993 ] [ -0.2746676 0.2126277 0.1194944 ] [ -0.5593582 -0.1044293 0.5149718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.520911298337664e-10 3.245482717632557e-10 -8.727453393299559e-10 ] [ -7.00319411834784e-11 2.929025598022003e-10 -8.536284883258945e-11 ] [ -4.220301447732384e-10 -4.199803200045869e-10 -5.210497869038649e-10 ] [ -4.530551735113958e-10 -1.384709983705575e-10 1.444116930410556e-09 ] [ 1.738649384489096e-09 6.942441183063725e-10 -5.131707629357569e-10 ] [ 1.906335432669293e-10 -9.265967386023129e-10 -4.683151047362055e-10 ] [ -4.400660072112461e-10 3.406671298744762e-10 1.914511339965235e-10 ] [ -8.961906306927706e-10 -1.673141829865095e-10 8.250757783312933e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 150.23183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.406979257260001e-17 } }