{ "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" [ [ 2.266958 0.2808875 2.923165 ] [ 1.972839 2.886908 2.420784 ] [ 0.6227844 1.897999 3.691493 ] [ 3.0949 1.65874 4.813271 ] [ 4.223624 2.255199 3.062463 ] [ 4.675559 3.55825 4.934237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.266958e-10 2.808875e-11 2.923165e-10 ] [ 1.972839e-10 2.886908e-10 2.420784e-10 ] [ 6.227844000000001e-11 1.897999e-10 3.691493e-10 ] [ 3.0949e-10 1.65874e-10 4.813271e-10 ] [ 4.223624e-10 2.255199e-10 3.062463e-10 ] [ 4.675559e-10 3.55825e-10 4.934237000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5905818 0.8267143 -0.4922321 ] [ 3.2957043 0.1871632 1.0070645 ] [ -2.0016083 -0.3948755 2.9103133 ] [ -4.7975157 0.2646359 -0.4917115 ] [ -0.9250836 -2.1604479 -4.0906157 ] [ 0.8379215 1.27681 1.1571815 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.75274626242566e-09 1.324542334453666e-09 -7.886427691247513e-10 ] [ 5.280300422033326e-09 2.998685057846688e-10 1.613495210830893e-09 ] [ -3.206930048680462e-09 -6.326602994390669e-10 4.662835966879432e-09 ] [ -7.686467555788153e-09 4.239934554975605e-10 -7.87808675969091e-10 ] [ -1.482147328416602e-09 -3.461419144354368e-09 -6.553888893213553e-09 ] [ 1.342498248426231e-09 2.04567514805754e-09 1.854009160597071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.557612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.8130395695238e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6298119 0.500949 3.0542748 ] [ 1.9531676 2.9486279 2.4453663 ] [ 0.3923519 1.4606156 3.7982898 ] [ 2.6209632 2.3319525 4.8244159 ] [ 4.3136006 2.2913927 2.7803761 ] [ 4.9467692 3.0044458 4.9426899 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6298119e-10 5.00949e-11 3.0542748e-10 ] [ 1.9531676e-10 2.9486279e-10 2.4453663e-10 ] [ 3.923519e-11 1.4606156e-10 3.7982898e-10 ] [ 2.6209632e-10 2.3319525e-10 4.8244159e-10 ] [ 4.3136006e-10 2.2913927e-10 2.7803761e-10 ] [ 4.9467692e-10 3.0044458e-10 4.9426899e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001367 6.18e-05 -1.6e-06 ] [ 0.0001397 -2.13e-05 8.6e-05 ] [ -8.08e-05 -3.14e-05 -2.7e-05 ] [ -8.9e-06 8.62e-05 3.66e-05 ] [ -0.00015 -3.89e-05 -4.22e-05 ] [ -3.67e-05 -5.64e-05 -5.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.190175458678e-13 9.901451598119999e-14 -2.5634826144e-15 ] [ 2.238240757698e-13 -3.41263623042e-14 1.37787190524e-13 ] [ -1.294558720272e-13 -5.030834630759999e-14 -4.325876911799999e-14 ] [ -1.42593720426e-14 1.381076258508e-13 5.86396648044e-14 ] [ -2.403264950999999e-13 -6.232467106259999e-14 -6.761185395480001e-14 ] [ -5.879988246779999e-14 -9.03627621576e-14 -8.299274964119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.309927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.254009047764571e-18 } }