{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6519007 -4.1845477 -2.6465736 ] [ -16.8648064 7.3126051 -2.86328 ] [ -7.2301147 -5.9035995 5.5793369 ] [ -1.9569714 0.888116 1.7382664 ] [ 11.0572622 -5.4690593 -0.1302866 ] [ 10.3264822 3.2209061 -5.6873374 ] [ 4.0162475 4.1355793 4.0098742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.044460069228244e-09 -6.704384548798442e-09 -4.240278382081262e-09 ] [ -2.702039875101365e-08 1.171608502488923e-08 -4.587480312599519e-09 ] [ -1.158392083347992e-08 -9.458609175394082e-09 8.939083214393995e-09 ] [ -3.135413850486268e-09 1.422918703481544e-09 2.785009809747297e-09 ] [ 1.771568713285143e-08 -8.762399020420395e-09 -2.087421462433044e-10 ] [ 1.654484849225691e-08 5.160460493728068e-09 -9.11211909195431e-09 ] [ 6.434737900860915e-09 6.625928522514075e-09 6.424526748519442e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.775576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.367308262109118e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1023849 2.6426351 1.019921 ] [ 1.6874018 4.992974 1.8726255 ] [ 2.1595653 2.9830579 3.5307547 ] [ 4.5294783 3.035929 0.8054673 ] [ 4.675874 2.8443918 3.2617516 ] [ 4.0662389 5.439542 1.1208929 ] [ 3.6806258 5.1492493 3.608951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1023849e-10 2.6426351e-10 1.019921e-10 ] [ 1.6874018e-10 4.992974e-10 1.8726255e-10 ] [ 2.1595653e-10 2.9830579e-10 3.5307547e-10 ] [ 4.5294783e-10 3.035929e-10 8.054673000000001e-11 ] [ 4.675874e-10 2.8443918e-10 3.261751600000001e-10 ] [ 4.0662389e-10 5.439542000000001e-10 1.1208929e-10 ] [ 3.6806258e-10 5.149249300000001e-10 3.608951e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.42e-05 -1.85e-05 -1.3e-05 ] [ -6.86e-05 7.35e-05 2.31e-05 ] [ -1.52e-05 -2.77e-05 -2.72e-05 ] [ -5.55e-05 -9.7e-06 5.27e-05 ] [ 5.16e-05 2.97e-05 -5.82e-05 ] [ 5.03e-05 -6.58e-05 -2.6e-05 ] [ -1.68e-05 1.85e-05 4.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.68379735628e-14 -2.9640267729e-14 -2.082829624199999e-14 ] [ -1.099093170924e-13 1.17759982599e-13 3.70102802454e-14 ] [ -2.43530848368e-14 -4.438029276179999e-14 -4.35792044448e-14 ] [ -8.892080318699998e-14 -1.55411133498e-14 8.44347086118e-14 ] [ 8.267231431439999e-14 4.75846460298e-14 -9.324668009879999e-14 ] [ 8.05894846902e-14 -1.054232225172e-13 -4.165659248399999e-14 ] [ -2.691656745119999e-14 2.9640267729e-14 7.770556674899999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }