{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2707764 -0.4340101 -2.3125259 ] [ 2.0334494 0.9667306 1.8170504 ] [ 0.6739842 0.9221499 -1.1328329 ] [ -1.0769733 -1.0511738 0.1341539 ] [ 0.1591006 1.9415452 -0.7749324 ] [ -0.7231734 -1.1628041 2.0387505 ] [ -0.2922738 -0.6490446 -1.2669694 ] [ 0.4966627 -0.533393 1.4973057 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.036008238344389e-09 -6.953608354110701e-10 -3.705074931974478e-09 ] [ 3.257945088259787e-09 1.548873165931957e-09 2.911235669695288e-09 ] [ 1.079841728028591e-09 1.477447010653058e-09 -1.814998387653064e-09 ] [ -1.725501442485824e-09 -1.684166086757495e-09 2.149382421691411e-10 ] [ 2.549072616752525e-10 3.11069832766646e-09 -1.241578573980434e-09 ] [ -1.158651514264447e-09 -1.863017543590386e-09 3.26643838674431e-09 ] [ -4.682742492323749e-10 -1.039884083976488e-09 -2.029908751949004e-09 ] [ 7.957413663634041e-10 -8.545897942983744e-10 2.398948186730579e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.209092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.801336066279631e-18 } }