{ "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" [ [ -1.049571 -0.9632499 -0.465547 ] [ 0.0713356 0.2788396 0.5857215 ] [ -1.6026407 -1.7953076 -1.7820797 ] [ 0.1016871 3.3426515 -0.7494761 ] [ -0.7024861 -1.0108338 -0.2853437 ] [ 0.2155478 0.5839186 1.6979496 ] [ 1.7686247 -2.6783695 -0.1614013 ] [ 1.1975026 2.2423512 1.1601767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.681598118069677e-09 -1.543296469767938e-09 -7.458885192835777e-10 ] [ 1.142922305507405e-10 4.467502880732237e-10 9.384292935999072e-10 ] [ -2.567713461082547e-09 -2.876399863864558e-09 -2.855206431742278e-09 ] [ 1.629206942569517e-10 5.355518084782052e-09 -1.200793085268363e-09 ] [ -1.125506805856971e-09 -1.619534281874423e-09 -4.571710050325689e-10 ] [ 3.453456458248743e-10 9.355407293702668e-10 2.720415152416712e-09 ] [ 2.833649145309413e-09 -4.291220994763786e-09 -2.58593389426727e-10 ] [ 1.918610669067214e-09 3.592642668262825e-09 1.858807984736895e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.741168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72636637696851e-18 } }