{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4958859 -0.0319206 0.2172237 ] [ -0.1465378 -1.0200626 1.191105 ] [ -1.7337149 -0.0150711 -1.9224631 ] [ 0.7024881 4.567282 -1.731773 ] [ -0.7401909 -1.8765437 0.294781 ] [ -0.3811612 0.45003 1.8363793 ] [ 2.3376929 -3.1177459 -0.2780495 ] [ 2.4573096 1.0440318 0.3927967 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.99885007011006e-09 -5.11424394632604e-11 3.480307364910258e-10 ] [ -2.347794391577651e-10 -1.634320462937288e-09 1.90836059964057e-09 ] [ -2.777717502797646e-09 -2.41465642686774e-11 -3.080125458547205e-09 ] [ 1.125510019483055e-09 7.317592501288787e-09 -2.774606235992082e-09 ] [ -1.18591656467943e-09 -3.006554468819905e-09 4.72291230347154e-10 ] [ -6.106875684274007e-10 7.210275505990199e-10 2.942204005621276e-09 ] [ 3.745396941847698e-09 -4.9951796317293e-09 -4.45484411995383e-10 ] [ 3.937044023623885e-09 1.672723355112961e-09 6.293296946523078e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -321.97164 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158554384186597e-17 } }