{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4180647 -1.695387 0.5682347 ] [ -2.9700639 0.6581737 -4.5397556 ] [ -1.3563325 -0.9865162 1.5509218 ] [ 3.4460734 0.3167063 -0.1353615 ] [ 0.5642549 -0.0091668 -0.9128477 ] [ -0.122514 -0.5896963 0.8491818 ] [ 3.8566469 2.3058863 2.6196265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.476343395840219e-09 -2.716309436987358e-09 9.104123589679997e-10 ] [ -4.758566982066912e-09 1.054510523253326e-09 -7.27349034639065e-09 ] [ -2.173084239434805e-09 -1.580573204702471e-09 2.484850669121221e-09 ] [ 5.521218280528936e-09 5.074194337005941e-10 -2.16873032443191e-10 ] [ 9.040360164000064e-10 -1.46868327685512e-11 -1.462543255340642e-09 ] [ -1.96289068137876e-10 -9.44797633016254e-10 1.360539237978061e-09 ] [ 6.179029548768535e-09 3.694437150520714e-09 4.1971043681072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.644836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.147449721796203e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1551017 1.6175331 3.0720035 ] [ 1.8682713 3.9293086 2.4033092 ] [ 1.5816484 3.2813583 4.6781633 ] [ 4.4893587 1.8117618 2.6292712 ] [ 3.7591667 2.327708 4.8390441 ] [ 4.2099158 4.064047 1.9777471 ] [ 3.4723106 4.6394692 4.1703116 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1551017e-10 1.6175331e-10 3.0720035e-10 ] [ 1.8682713e-10 3.9293086e-10 2.4033092e-10 ] [ 1.5816484e-10 3.2813583e-10 4.678163299999999e-10 ] [ 4.489358700000001e-10 1.8117618e-10 2.6292712e-10 ] [ 3.7591667e-10 2.327708e-10 4.8390441e-10 ] [ 4.2099158e-10 4.064047000000001e-10 1.9777471e-10 ] [ 3.4723106e-10 4.6394692e-10 4.1703116e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 -1.77e-05 2.88e-05 ] [ 1.63e-05 -6e-07 -2.48e-05 ] [ 3.55e-05 2.59e-05 -2.43e-05 ] [ 1.39e-05 -2.12e-05 -2.1e-05 ] [ -2.65e-05 -2.56e-05 2.11e-05 ] [ -3.51e-05 3.05e-05 -1.43e-05 ] [ -8.5e-06 8.8e-06 3.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.0495771896e-15 -2.83585264218e-14 4.614268705919999e-14 ] [ 2.61154791342e-14 -9.613059803999998e-16 -3.97339805232e-14 ] [ 5.6877270507e-14 4.149637482059999e-14 -3.893289220619999e-14 ] [ 2.22702552126e-14 -3.39661446408e-14 -3.364570931399999e-14 ] [ -4.2457680801e-14 -4.10157218304e-14 3.38059269774e-14 ] [ -5.62363998534e-14 4.886638733699999e-14 -2.29111258662e-14 ] [ -1.3618501389e-14 1.40991543792e-14 5.54353115364e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }