{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5928896 -0.8310976 0.7250661 ] [ -0.6041045 -1.8859202 1.4936918 ] [ -4.2322132 1.1458062 1.2990956 ] [ 2.423369 2.3541789 -1.5983547 ] [ -0.0716788 -0.2330509 -4.823756 ] [ 6.0433969 -4.2473222 3.5946287 ] [ -1.9658799 3.6974058 -0.6903714 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.552090497661606e-09 -1.331565155293478e-09 1.161683963525507e-09 ] [ -9.67882114394253e-10 -3.021577278028607e-09 2.393158100357401e-09 ] [ -6.780753099146369e-09 1.835783920732331e-09 2.08138061565221e-09 ] [ 3.882665187359946e-09 3.771810425835822e-09 -2.56084655318408e-09 ] [ -1.148420985131592e-10 -3.733887065126706e-10 -7.728509151317304e-09 ] [ 9.682589303168033e-09 -6.804960385909475e-09 5.759230111045795e-09 ] [ -3.149686841030256e-09 5.923897179176076e-09 -1.106096925861868e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.60193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.820140095930362e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0688556 1.1053268 2.4985821 ] [ 1.1304029 1.646322 4.6412411 ] [ 2.4418768 3.5256571 5.4020479 ] [ 1.4741218 3.4414168 2.9879618 ] [ 3.8557254 2.7119967 2.2496849 ] [ 4.6852575 3.0048602 4.5455733 ] [ 3.4349931 4.8177974 3.5202298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0688556e-10 1.1053268e-10 2.4985821e-10 ] [ 1.1304029e-10 1.646322e-10 4.641241100000001e-10 ] [ 2.4418768e-10 3.5256571e-10 5.402047900000001e-10 ] [ 1.4741218e-10 3.4414168e-10 2.9879618e-10 ] [ 3.8557254e-10 2.7119967e-10 2.2496849e-10 ] [ 4.6852575e-10 3.0048602e-10 4.5455733e-10 ] [ 3.4349931e-10 4.8177974e-10 3.5202298e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0255679 -0.0008084 0.0031469 ] [ -0.0264973 0.0064965 0.001371 ] [ 0.0186537 -0.0391571 -0.1280722 ] [ 0.0058409 -0.0040514 0.0404009 ] [ -0.0672777 0.0480151 0.1005053 ] [ 0.0345127 -0.0136681 0.0113885 ] [ 0.0091998 0.0031733 -0.0287404 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.096429196044859e-11 -1.2951995909256e-12 5.041889649534599e-12 ] [ -4.24533549240882e-11 1.0408540502781e-11 2.196584165214e-12 ] [ 2.988652227764579e-11 -6.273659067520139e-11 -2.051942863049748e-10 ] [ 9.3581535015306e-12 -6.491058414987599e-12 6.47293779725706e-11 ] [ -1.077907589292618e-10 7.692867129917338e-11 1.610272432531602e-10 ] [ 5.52954415162518e-11 -2.18987104511754e-11 1.8246388596309e-11 ] [ 1.47397045974732e-11 5.0841871126722e-12 -4.604719733181359e-11 ] ] } "relaxed-potential-energy" { "source-value" -22.253749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.565443666670086e-18 } }