{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7742052 0.6824645 0.5764372 ] [ 0.6127639 2.971614 0.4436307 ] [ 0.405499 2.567939 2.589337 ] [ 2.552542 1.167694 2.901906 ] [ 2.397264 1.657583 0.5767519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.742052e-11 6.824645e-11 5.764372e-11 ] [ 6.127639e-11 2.971614e-10 4.436307e-11 ] [ 4.05499e-11 2.567939e-10 2.589337e-10 ] [ 2.552542e-10 1.167694e-10 2.901906e-10 ] [ 2.397264e-10 1.657583e-10 5.767519e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.7479024 -23.5793694 -11.8131005 ] [ -7.4347861 15.9210683 -5.9256637 ] [ -11.0808429 9.6646251 19.2537677 ] [ 6.0361716 -0.1169805 8.5602625 ] [ 26.2273598 -1.8893435 -10.0752661 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.202656781032021e-08 -3.777831438588692e-08 -1.892667344026079e-08 ] [ -1.191184047006881e-08 2.550836340842e-08 -9.493959842863225e-09 ] [ -1.775346743313767e-08 1.548443638401686e-08 3.084793647125419e-08 ] [ 9.671013016656931e-09 -1.874234221894944e-10 1.371505244541096e-08 ] [ 4.202086269686976e-08 -3.027061984360445e-09 -1.614235579375879e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.6245931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.0613768187133e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9688401 1.1060652 -0.4165701 ] [ -0.3590831 2.634683 0.7801218 ] [ 0.6727214 3.0228247 2.8578268 ] [ 2.6383708 1.7341379 2.9452032 ] [ 2.8214249 0.5495837 0.9214811 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.688401000000001e-11 1.1060652e-10 -4.165701e-11 ] [ -3.590831e-11 2.634683e-10 7.801218e-11 ] [ 6.727214e-11 3.0228247e-10 2.8578268e-10 ] [ 2.6383708e-10 1.7341379e-10 2.9452032e-10 ] [ 2.8214249e-10 5.495837000000001e-11 9.214811000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-06 1.12e-05 8.1e-06 ] [ -1.48e-05 8.2e-06 8.9e-06 ] [ -2.4e-06 -4.8e-06 -1.32e-05 ] [ -2.3e-06 3.1e-06 -8.1e-06 ] [ 1.5e-05 -1.77e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.370012455680001e-15 1.794437815296e-14 1.297763062848e-14 ] [ -2.371221398784e-14 1.313784829056e-14 1.425937192512e-14 ] [ -3.84522388992e-15 -7.69044777984e-15 -2.114873139456e-14 ] [ -3.68500622784e-15 4.96674752448e-15 -1.297763062848e-14 ] [ 2.4032649312e-14 -2.835852618816e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }