{ "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" [ [ 1.1857222 0.8304951 -2.2896817 ] [ -0.6699576 0.3247034 0.5182892 ] [ -0.3838453 -0.6231043 -1.4510099 ] [ -1.3229453 -0.6835061 3.1766892 ] [ 3.3461558 1.3984283 -1.7314543 ] [ -0.2498477 -1.7079182 -0.1564172 ] [ -0.2211609 0.8759621 -0.1305258 ] [ -1.6841212 -0.4150603 2.0641104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.899736387603542e-09 1.330599832908958e-09 -3.668474488813599e-09 ] [ -1.073390403647278e-09 5.202321961742707e-10 8.303908390531353e-10 ] [ -6.149879656639623e-10 -9.983231417799496e-10 -2.324774138329346e-09 ] [ -2.119592030257242e-09 -1.095097493594187e-09 5.089617167787856e-09 ] [ 5.361132592314321e-09 2.240529128125089e-09 -2.77409559944363e-09 ] [ -4.003001437006522e-10 -2.736386610278818e-09 -2.506079809309978e-10 ] [ -3.543388234150867e-10 1.403445997326872e-09 -2.091253851712166e-10 ] [ -2.698259613233641e-09 -6.649999088822343e-10 3.307069425630136e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.130083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.589765739416353e-18 } }