{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3773771 -0.9766807 1.3329701 ] [ 0.548938 -0.0297636 -1.2893344 ] [ 3.8796395 0.2509597 -1.2587298 ] [ 3.4767393 5.7066093 3.7670364 ] [ -5.2411932 -2.2639571 -3.3009924 ] [ -3.4476668 -2.0922036 2.9388291 ] [ 1.1609203 -0.5949641 -2.189779 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.046247718266814e-10 -1.564814996418764e-09 2.135653548040643e-09 ] [ 8.794956371146919e-10 -4.76865444637224e-11 -2.065741449092409e-09 ] [ 6.215867755243443e-09 4.020817674156498e-10 -2.016707474079493e-09 ] [ 5.570350468969517e-09 9.142996079827095e-09 6.035457699507477e-09 ] [ -8.397317279319688e-09 -3.6272591659984e-09 -5.288772892291581e-09 ] [ -5.52377118877755e-09 -3.352079721490682e-09 4.708523315339249e-09 ] [ 1.85999937859627e-09 -9.532375790888393e-10 -3.508412747423886e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.718754 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.999075027639403e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1675735 2.1069017 4.8887813 ] [ 2.3175053 3.568807 2.9503888 ] [ 5.231967 1.0446091 2.9661665 ] [ 4.8160177 3.3996002 2.6686125 ] [ 3.2324386 1.7081108 1.67778 ] [ 3.0465564 0.3192873 3.6661535 ] [ 3.8766694 3.8009108 4.8512955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1675735e-10 2.1069017e-10 4.8887813e-10 ] [ 2.3175053e-10 3.568807e-10 2.9503888e-10 ] [ 5.231967e-10 1.0446091e-10 2.9661665e-10 ] [ 4.8160177e-10 3.3996002e-10 2.6686125e-10 ] [ 3.2324386e-10 1.7081108e-10 1.67778e-10 ] [ 3.0465564e-10 3.192873e-11 3.6661535e-10 ] [ 3.8766694e-10 3.8009108e-10 4.8512955e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 5.26e-05 2.7e-06 ] [ -1.19e-05 3.51e-05 2.04e-05 ] [ -1.88e-05 3.4e-06 -1.4e-06 ] [ 1.84e-05 -2.1e-05 1.16e-05 ] [ -8.8e-06 7e-07 1.62e-05 ] [ 4.93e-05 -7.5e-05 -3.02e-05 ] [ -2.34e-05 4.2e-06 -1.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.690447843199998e-15 8.42744909484e-14 4.3258769118e-15 ] [ -1.90659019446e-14 5.62363998534e-14 3.26844033336e-14 ] [ -3.012092071919999e-14 5.4474005556e-15 -2.2430472876e-15 ] [ 2.94800500656e-14 -3.364570931399999e-14 1.85852489544e-14 ] [ -1.40991543792e-14 1.1215236438e-15 2.59552614708e-14 ] [ 7.89873080562e-14 -1.2016324755e-13 -4.838573434679999e-14 ] [ -3.749093323559999e-14 6.729141862799999e-15 -3.09220090362e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.946238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516174972780289e-18 } }