{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 46.4793779 -107.0553536 -37.2251663 ] [ -79.822186 66.3298792 10.3154337 ] [ 5.9385223 -11.1019171 14.5993966 ] [ 30.6342624 23.0033197 -23.7679372 ] [ -3.2299766 28.8240718 36.0782732 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.446817262070821e-08 -1.715215846693971e-07 -5.964129115125203e-08 ] [ -1.278892402303491e-07 1.062721817147282e-07 1.652714670755244e-08 ] [ 9.514561591159443e-09 -1.778723202367974e-08 2.339081191030701e-08 ] [ 4.90814990127325e-08 3.685538102412807e-08 -3.808043330648261e-08 ] [ -5.174992994251074e-09 4.618125395422057e-08 5.78037658398752e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 76.64235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.227945813331709e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0045284 -0.2930743 0.1618865 ] [ -0.6226294 1.0063821 0.2794754 ] [ 0.8291845 0.8201197 2.976498 ] [ 1.6721603 2.944569 0.3712923 ] [ 0.7732042 2.8566043 2.3799673 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0045284e-10 -2.930743e-11 1.618865e-11 ] [ -6.226294e-11 1.0063821e-10 2.794754e-11 ] [ 8.291845e-11 8.201197000000001e-11 2.976498e-10 ] [ 1.6721603e-10 2.944569e-10 3.712923e-11 ] [ 7.732042000000001e-11 2.8566043e-10 2.3799673e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.0327754 -0.2645387 -1.3780413 ] [ 0.0347636 -2.2503491 -0.895139 ] [ 0.0203578 1.9188342 -0.2078204 ] [ -0.4956748 -0.0932254 2.5657486 ] [ 1.4733288 0.6892791 -0.084748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.654688600417368e-09 -4.23837720436825e-10 -2.207865553356839e-09 ] [ 5.569742717484288e-11 -3.605456716658321e-09 -1.434170778166291e-09 ] [ 3.261679121092224e-11 3.074311294431472e-09 -3.329649862053043e-10 ] [ -7.941585760797159e-10 -1.493635563447283e-10 4.110782421770331e-09 ] [ 2.360532958111319e-09 1.104346859226065e-09 -1.357812642595584e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.539131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.329425577494853e-18 } }