{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8833182 2.8199088 -0.1863731 ] [ -0.3416099 -0.2165808 0.0217352 ] [ 0.5953369 0.2047489 0.1702791 ] [ -0.3846194 -2.4471821 -0.4096395 ] [ 2.2679376 -0.3727267 0.5960127 ] [ 0.3490817 -0.3250809 0.0689878 ] [ -0.6028087 0.3369128 -0.261002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.017408414426938e-09 4.517991989370978e-09 -2.986026260261454e-10 ] [ -5.473193997230765e-10 -3.470006971330272e-10 3.48236295753168e-11 ] [ 9.538348705379943e-10 3.280439034172026e-10 2.728171952785494e-10 ] [ -6.162282156630996e-10 -3.920817979763051e-09 -6.563148352634429e-10 ] [ 3.633636630090039e-09 -5.971740096079278e-10 9.549176215072517e-10 ] [ 5.592905430969978e-10 -5.208370221396905e-10 1.105306411910652e-10 ] [ -9.658060139119156e-10 5.397938158555152e-10 -4.18171305827268e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.711674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.716199379382531e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.7917887 2.2855511 5.0565426 ] [ 4.2117344 3.1051624 0.4637296 ] [ 3.0269019 1.3002046 1.2742927 ] [ 2.8102877 0.8825723 3.5246849 ] [ 4.9827914 4.097439 4.2970433 ] [ 5.1784796 4.4842466 2.0392357 ] [ 4.4174214 3.5074445 -1.7892417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.7917887e-10 2.2855511e-10 5.056542600000001e-10 ] [ 4.2117344e-10 3.1051624e-10 4.637296000000001e-11 ] [ 3.0269019e-10 1.3002046e-10 1.2742927e-10 ] [ 2.8102877e-10 8.825723e-11 3.5246849e-10 ] [ 4.982791400000001e-10 4.097439e-10 4.2970433e-10 ] [ 5.1784796e-10 4.4842466e-10 2.0392357e-10 ] [ 4.4174214e-10 3.5074445e-10 -1.7892417e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.36e-05 -2.54e-05 1.13e-05 ] [ -4.36e-05 -7.3e-06 -2.55e-05 ] [ -5.6e-06 2.07e-05 -3.35e-05 ] [ 3.73e-05 3.9e-06 2.63e-05 ] [ 4.4e-06 -4e-06 -2.17e-05 ] [ 3.35e-05 3.71e-05 2.33e-05 ] [ 7.6e-06 -2.5e-05 1.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.383313490239999e-14 -4.06952865036e-14 1.81045959642e-14 ] [ -6.985490124239999e-14 -1.16958894282e-14 -4.0855504167e-14 ] [ -8.972189150399999e-15 3.316505632379999e-14 -5.367291723899999e-14 ] [ 5.97611884482e-14 6.248488872599999e-15 4.21372454742e-14 ] [ 7.0495771896e-15 -6.408706535999999e-15 -3.476723295779999e-14 ] [ 5.367291723899999e-14 5.94407531214e-14 3.733071557219999e-14 ] [ 1.21765424184e-14 -4.005441585e-14 3.17230973532e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.418821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.951020463202852e-18 } }