{ "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" [ [ 1.9140771 1.4742747 -3.3622629 ] [ -1.1090877 0.3198725 0.7043129 ] [ -0.5868241 -0.8650903 -1.9824936 ] [ -2.6191307 -1.8556693 5.1212084 ] [ 5.1646369 2.664276 -3.3664495 ] [ -0.3482619 -2.290888 -0.1079971 ] [ -0.0960182 1.2814576 -0.043576 ] [ -2.3193914 -0.7282332 3.0372577 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.066689580028664e-09 2.362048456976934e-09 -5.386939011363208e-09 ] [ -1.776954383356844e-09 5.12492241136848e-10 1.128433662107848e-09 ] [ -9.401958535420013e-10 -1.386027453540858e-09 -3.176304896805627e-09 ] [ -4.196309974359538e-09 -2.973109968396301e-09 8.205080368724576e-09 ] [ 8.274660496100987e-09 4.268640718558541e-09 -5.39364668400385e-09 ] [ -5.579770740953876e-10 -3.67040719447127e-09 -1.730304287341997e-10 ] [ -1.538381152112985e-10 2.053121407266478e-09 -6.98164484279808e-11 ] [ -3.716074675564581e-09 -1.166758207530371e-09 4.866223278284781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.574277 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.699627491126317e-18 } }