{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.554007 0.3831529 -1.4971188 ] [ 1.0862346 0.0536183 1.613814 ] [ -1.0580913 -0.0456199 -1.1982305 ] [ -0.3664269 0.7117875 -0.1880027 ] [ -0.5357834 -0.4870709 0.0903864 ] [ -0.3359502 0.7108611 0.7070319 ] [ 0.6560102 -1.3267289 0.4721198 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.876170631595456e-10 6.138786185717204e-10 -2.398648739920151e-09 ] [ 1.74033968082404e-09 8.590598670704064e-11 2.585615061119731e-09 ] [ -1.695249143531879e-09 -7.309113722323391e-11 -1.919776893429494e-09 ] [ -5.870806124122196e-10 1.14040929147768e-09 -3.012135305872762e-10 ] [ -8.584196372927348e-10 -7.803736086520147e-10 1.448149769182771e-10 ] [ -5.382515561930841e-10 1.138925035056171e-09 1.132789980339804e-09 ] [ 1.051044205446332e-09 -2.125654025719701e-09 7.564193057767718e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.882509085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.423134839094778e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0446991 2.060849 1.310106 ] [ 2.1141834 1.7404342 3.7133799 ] [ 2.2981899 3.9087189 2.6420069 ] [ 3.3850393 0.3985347 2.1426025 ] [ 4.2818429 2.6497953 2.0391545 ] [ 4.466927 1.2190353 3.9889888 ] [ 3.7952033 3.3884489 4.2976335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0446991e-10 2.060849e-10 1.310106e-10 ] [ 2.1141834e-10 1.7404342e-10 3.7133799e-10 ] [ 2.2981899e-10 3.908718900000001e-10 2.6420069e-10 ] [ 3.3850393e-10 3.985347e-11 2.1426025e-10 ] [ 4.2818429e-10 2.6497953e-10 2.0391545e-10 ] [ 4.466927e-10 1.2190353e-10 3.9889888e-10 ] [ 3.7952033e-10 3.3884489e-10 4.2976335e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.52e-05 -1.25e-05 5.93e-05 ] [ -5.6e-06 -9.1e-06 -1.54e-05 ] [ 1.36e-05 -1.02e-05 -2.57e-05 ] [ -2.5e-06 -3.46e-05 -2.64e-05 ] [ -2.81e-05 3.04e-05 5.1e-06 ] [ -3.8e-05 -1.7e-06 -2.66e-05 ] [ 2.54e-05 3.78e-05 2.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.639661705216e-14 -2.002720776e-14 9.500907361344e-14 ] [ -8.972189076479999e-15 -1.457980724928e-14 -2.467351996032e-14 ] [ 2.178960204288e-14 -1.634220153216e-14 -4.117593915456e-14 ] [ -4.005441552e-15 -5.543531107968001e-14 -4.229746278912e-14 ] [ -4.502116304448e-14 4.870616927232e-14 8.17110076608e-15 ] [ -6.08827115904e-14 -2.72370025536e-15 -4.261789811328e-14 ] [ 4.069528616832e-14 6.056227626623999e-14 4.758464563776e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }