{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.367186 -1.2522731 -2.6768569 ] [ -4.2438893 2.3895143 -0.6845536 ] [ 3.3470412 -4.2560104 -4.1802558 ] [ 3.589018 5.3588572 3.0074121 ] [ -1.7820622 -4.7405138 1.1904356 ] [ -1.4896871 -1.3899302 5.09235 ] [ -1.5423986 -1.8092448 -5.6743836 ] [ 3.489164 5.6996008 3.9258522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.190473445485069e-09 -2.006362683676741e-09 -4.288797542407164e-09 ] [ -6.799460217723277e-09 3.828423946527278e-09 -1.096775773604475e-09 ] [ 5.362551159494377e-09 -6.818880360761657e-09 -6.697508111723601e-09 ] [ 5.750240731230374e-09 8.58583572004575e-09 4.818405355731031e-09 ] [ -2.855178393651414e-09 -7.595140380939768e-09 1.907288086888021e-09 ] [ -2.386741843927352e-09 -2.226913670983868e-09 8.15884411493088e-09 ] [ -2.471194976874651e-09 -2.898729719863972e-09 -9.091364741370938e-09 ] [ 5.590256986937012e-09 9.131767149652976e-09 6.289908611556246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.17419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.479514098591772e-17 } }