{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4264597 0.3568663 1.24612 ] [ 0.1993437 1.82063 0.3429825 ] [ 0.3583889 1.799016 2.47518 ] [ 1.901803 0.1168384 0.4528213 ] [ 1.669099 0.8043485 2.197104 ] [ 2.479285 2.402454 1.01494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.264597e-11 3.568663e-11 1.24612e-10 ] [ 1.993437e-11 1.82063e-10 3.429825e-11 ] [ 3.583889e-11 1.799016e-10 2.47518e-10 ] [ 1.901803e-10 1.168384e-11 4.528213e-11 ] [ 1.669099e-10 8.043485000000001e-11 2.197104e-10 ] [ 2.479285e-10 2.402454e-10 1.01494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -39.0333756 -35.8757788 -4.1975272 ] [ -21.7944263 24.2188246 -28.7184706 ] [ -25.0035264 24.7023907 29.8830089 ] [ 26.6128965 -23.7291081 -27.319964 ] [ 36.4462128 -10.864061 36.109499 ] [ 22.772219 21.5477326 -5.7565461 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.253836181722517e-08 -5.747933404635228e-08 -6.725179945012085e-09 ] [ -3.491852028160865e-08 3.880283455737591e-08 -4.601206218045215e-08 ] [ -4.006006543563558e-08 3.957759285740735e-08 4.787785821873833e-08 ] [ 4.263856058407015e-08 -3.801822223025591e-08 -4.377140760189765e-08 ] [ 5.839327006486171e-08 -1.740614454114507e-08 5.785379508660098e-08 ] [ 3.648511688553755e-08 3.452327340297e-08 -9.223003577977418e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 44.144477 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.072724898684333e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.022882 -0.1047451 0.2310907 ] [ -0.0508248 2.2863178 0.6512313 ] [ 0.3370039 2.1759499 2.9740379 ] [ 2.3760493 0.0453926 0.8135095 ] [ 2.0692015 0.5764486 3.0898718 ] [ 2.2800674 2.3207894 -0.0305934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2882e-12 -1.047451e-11 2.310907e-11 ] [ -5.08248e-12 2.2863178e-10 6.512313e-11 ] [ 3.370039e-11 2.1759499e-10 2.9740379e-10 ] [ 2.3760493e-10 4.53926e-12 8.135095e-11 ] [ 2.0692015e-10 5.764486e-11 3.0898718e-10 ] [ 2.2800674e-10 2.3207894e-10 -3.05934e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.95e-05 -4.75e-05 -3.04e-05 ] [ -5.14e-05 3.81e-05 3.43e-05 ] [ -7.4e-06 2.16e-05 6e-06 ] [ 4.68e-05 -6.27e-05 -4.6e-06 ] [ 1.9e-06 2.9e-05 -1.93e-05 ] [ 3.95e-05 2.16e-05 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.72642103136e-14 -7.610338948800001e-14 -4.870616927232e-14 ] [ -8.235187830912e-14 6.104292925248e-14 5.495465809344e-14 ] [ -1.185610699392e-14 3.460701500928e-14 9.6130597248e-15 ] [ 7.498186585344001e-14 -1.0045647412416e-13 -7.370012455680001e-15 ] [ 3.04413557952e-15 4.64631220032e-14 -3.092200878144e-14 ] [ 6.32859765216e-14 3.460701500928e-14 2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }