{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9940817 -6.1868067 -8.1109993 ] [ 1.6405222 -0.5158978 11.9861481 ] [ -7.9246161 4.7682485 -2.4599407 ] [ -0.764208 -0.7055779 -2.2618425 ] [ 3.7771494 -0.6631353 2.0038104 ] [ 2.2493804 -0.9498946 -3.1460724 ] [ 6.0158538 4.2530637 1.9888963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.001400942105118e-09 -9.9123570521488e-09 -1.299525344978517e-08 ] [ 2.628406314743382e-09 -8.265593938821542e-10 1.920392625926634e-08 ] [ -1.269663464423528e-08 7.63957626886467e-09 -3.941259478094387e-09 ] [ -1.224396191028327e-09 -1.13046041553316e-09 -3.623871173431825e-09 ] [ 6.051660461948748e-09 -1.062459874087194e-09 3.210458175395896e-09 ] [ 3.603904688165753e-09 -1.521898920344168e-09 -5.040563646624146e-09 ] [ 9.63846031251084e-09 6.814159226913145e-09 3.186563153055623e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.223143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.919669367209518e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6390911 1.9117375 2.4145329 ] [ 2.3028026 2.6970089 4.5550803 ] [ 2.0877418 4.2866024 2.7214016 ] [ 3.8972026 1.715519 1.788522 ] [ 4.5598128 2.4994821 3.9255175 ] [ 3.7836098 3.9310485 1.0087866 ] [ 4.4473283 4.7163135 3.1493341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6390911e-10 1.9117375e-10 2.414532900000001e-10 ] [ 2.3028026e-10 2.6970089e-10 4.5550803e-10 ] [ 2.0877418e-10 4.2866024e-10 2.7214016e-10 ] [ 3.8972026e-10 1.715519e-10 1.788522e-10 ] [ 4.559812800000001e-10 2.4994821e-10 3.9255175e-10 ] [ 3.7836098e-10 3.9310485e-10 1.0087866e-10 ] [ 4.4473283e-10 4.716313500000001e-10 3.1493341e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.77e-05 1.4e-06 -2.1e-06 ] [ 1.4e-05 -1.03e-05 -2.46e-05 ] [ -2.37e-05 1.8e-06 -3.2e-06 ] [ -8.3e-06 1.19e-05 1.61e-05 ] [ 1.96e-05 -1.18e-05 1.82e-05 ] [ 5.5e-06 -3.6e-06 2.6e-06 ] [ 1.05e-05 1.07e-05 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.835852618816e-14 2.24304726912e-15 -3.36457090368e-15 ] [ 2.24304726912e-14 -1.650241919424e-14 -3.941354487168e-14 ] [ -3.797158591296e-14 2.88391791744e-15 -5.126965186560001e-15 ] [ -1.329806595264e-14 1.906590178752e-14 2.579504359488e-14 ] [ 3.140266176767999e-14 -1.890568412544e-14 2.915961449856e-14 ] [ 8.8119714144e-15 -5.76783583488e-15 4.16565921408e-15 ] [ 1.68228545184e-14 1.714328984256e-14 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }