{ "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" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7425188 0.7270324 -0.2570322 ] [ -0.2825591 -0.7697178 -0.5927967 ] [ -0.2205784 1.3634333 0.6666584 ] [ 1.2842922 2.0029204 0.262466 ] [ -0.6082348 -1.543491 1.4354943 ] [ 0.5695987 -1.7801773 -1.5147898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.189646261864471e-09 1.164834313844114e-09 -4.118109816327897e-10 ] [ -4.527095840142893e-10 -1.23322386377361e-09 -9.497650136273913e-10 ] [ -3.534055555334707e-10 2.184460957280193e-09 1.068104502539935e-09 ] [ 2.057662937115798e-09 3.209032238203384e-09 4.205168889548928e-10 ] [ -9.744995765169638e-10 -2.472945194615213e-09 2.299915406751661e-09 ] [ 9.12597720378073e-10 -2.852158450938868e-09 -2.426960802986308e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.959381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.916104063743973e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1992208 0.3082614 2.0103472 ] [ -0.0269142 2.6306262 2.4504245 ] [ 2.7345913 0.4644026 0.0376177 ] [ 2.0523709 0.1661877 2.1735357 ] [ 2.9068992 2.7867623 0.4777224 ] [ 2.2167037 2.381135 2.5932809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.992208e-11 3.082614000000001e-11 2.0103472e-10 ] [ -2.69142e-12 2.6306262e-10 2.4504245e-10 ] [ 2.7345913e-10 4.644026e-11 3.76177e-12 ] [ 2.0523709e-10 1.661877e-11 2.1735357e-10 ] [ 2.9068992e-10 2.7867623e-10 4.777224e-11 ] [ 2.2167037e-10 2.381135e-10 2.5932809e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-05 -1.63e-05 -5.5e-06 ] [ -1.08e-05 -1.94e-05 9.9e-06 ] [ -2.7e-06 1.2e-06 3.24e-05 ] [ 1.1e-06 1.01e-05 -1.7e-05 ] [ 6.1e-06 5.1e-06 1.14e-05 ] [ 4.63e-05 1.93e-05 -3.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-14 -2.611547891904e-14 -8.8119714144e-15 ] [ -1.730350750464e-14 -3.108222644352e-14 1.586154854592e-14 ] [ -4.32587687616e-15 1.92261194496e-15 5.191052251392001e-14 ] [ 1.76239428288e-15 1.618198387008e-14 -2.72370025536e-14 ] [ 9.77327738688e-15 8.17110076608e-15 1.826481347712e-14 ] [ 7.418077754303999e-14 3.092200878144e-14 -5.014812823104e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.448561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314914663840267e-18 } }