{ "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" [ [ -1.6010948 -0.4198071 -2.8840283 ] [ 2.39358 1.1248756 2.4225114 ] [ 0.5118613 0.9338596 -1.4317559 ] [ -1.1283643 -1.263563 0.3281333 ] [ 0.2424647 2.2653754 -1.0320031 ] [ -0.7181947 -1.234537 2.3243456 ] [ -0.2672769 -0.7524497 -1.6727713 ] [ 0.5670247 -0.6537538 1.9455682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.565236656244452e-09 -6.726051208658476e-10 -4.62072271598557e-09 ] [ 3.834937916014464e-09 1.802249387628372e-09 3.881291128701477e-09 ] [ 8.20092207952295e-10 1.49620801822964e-09 -2.293925829672463e-09 ] [ -1.807838901205358e-09 -2.02445109750791e-09 5.257275017659527e-10 ] [ 3.884712737092858e-10 3.629531503215448e-09 -1.653451239413125e-09 ] [ -1.15067475752247e-09 -1.97794631891257e-09 3.724012178979348e-09 ] [ -4.282248004598995e-10 -1.205557317667974e-09 -2.680075068805223e-09 ] [ 9.084737177561338e-10 -1.047429054119159e-09 3.117143884211939e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.055708 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.776761240399154e-18 } }