{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.8591602 -13.8969467 -40.1735942 ] [ -47.0888729 25.9355372 -19.5921656 ] [ 5.8773802 -22.5190528 51.6520575 ] [ -34.55037 43.6389701 -73.4883327 ] [ 10.7536646 -0.2456621 4.1275294 ] [ 26.9987626 6.7256331 -0.5532857 ] [ 27.1502754 -39.6384788 78.0277912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.739829273730277e-08 -2.226536328668341e-08 -6.436519393103791e-08 ] [ -7.54446918817758e-08 4.155331169207778e-08 -3.139010993377859e-08 ] [ 9.416601225574247e-09 -3.607950021597227e-08 8.275571962452445e-08 ] [ -5.535579551005458e-08 6.991733822604465e-08 -1.177412895235581e-07 ] [ 1.722927015199296e-08 -3.935940764793714e-10 6.613031160828039e-09 ] [ 4.325678658463308e-08 1.077565220167698e-08 -8.864614204663337e-10 ] [ 4.3499536852545e-08 -6.350784454066435e-08 1.250143038632708e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 8.2577293 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.323034093435717e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.601642 1.7224273 1.0169691 ] [ 0.4031892 2.9799942 1.9496424 ] [ 1.5990352 1.2670488 3.5560869 ] [ 2.6589476 4.2749316 2.2537943 ] [ 4.3019023 1.3908367 3.1754489 ] [ 4.8501003 3.1836207 1.3233438 ] [ 3.0346833 3.2358098 4.5838685 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.601642e-10 1.7224273e-10 1.0169691e-10 ] [ 4.031892000000001e-11 2.9799942e-10 1.9496424e-10 ] [ 1.5990352e-10 1.2670488e-10 3.5560869e-10 ] [ 2.6589476e-10 4.274931600000001e-10 2.2537943e-10 ] [ 4.3019023e-10 1.3908367e-10 3.1754489e-10 ] [ 4.8501003e-10 3.1836207e-10 1.3233438e-10 ] [ 3.0346833e-10 3.2358098e-10 4.5838685e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.76e-05 1.66e-05 -3.85e-05 ] [ -6.87e-05 -2.25e-05 -2e-07 ] [ 2.31e-05 -8.6e-06 4.19e-05 ] [ 4.2e-05 2.7e-06 -2.8e-06 ] [ -3.61e-05 -7.9e-06 -3.6e-05 ] [ 2.09e-05 -7.6e-06 1.72e-05 ] [ -8.7e-06 2.73e-05 1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.42200750984e-14 2.65961321244e-14 -6.168380040899999e-14 ] [ -1.100695347558e-13 -3.6048974265e-14 -3.204353268e-16 ] [ 3.70102802454e-14 -1.37787190524e-14 6.713120096459999e-14 ] [ 6.729141862799998e-14 4.3258769118e-15 -4.486094575199999e-15 ] [ -5.783857648740001e-14 -1.26571954086e-14 -5.7678358824e-14 ] [ 3.34854916506e-14 -1.21765424184e-14 2.75574381048e-14 ] [ -1.39389367158e-14 4.37394221082e-14 2.94800500656e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.766486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.968028517548812e-18 } }