{ "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" [ [ -1.2658056 -0.6794514 -2.7536128 ] [ 2.2303949 1.3254872 2.2706312 ] [ 0.6111743 0.7344151 -1.6020794 ] [ -1.1092664 -1.1709337 0.4507303 ] [ 0.3983561 2.1423025 -0.9657061 ] [ -0.9713866 -1.0800479 2.3707366 ] [ -0.3914512 -0.6988208 -1.869407 ] [ 0.4979845 -0.572951 2.0987073 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.028044138797716e-09 -1.088601148049829e-09 -4.411774050895626e-09 ] [ 3.573486563931554e-09 2.123664603009654e-09 3.637952223099049e-09 ] [ 9.792091746938054e-10 1.176662703182494e-09 -2.566814159345292e-09 ] [ -1.777240692318981e-09 -1.876042598646841e-09 7.221495489461702e-10 ] [ 6.382368301730669e-10 3.432346980181392e-09 -1.547231735983947e-09 ] [ -1.556332900278401e-09 -1.730427494724136e-09 3.798338754594882e-09 ] [ -6.27173960824105e-10 -1.119634347888753e-09 -2.995120190159866e-09 ] [ 7.978591234207776e-10 -9.179686970639807e-10 3.362499769962292e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.941092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.918615394922192e-18 } }