{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6925927 -0.0401378 0.2975116 ] [ 0.7330853 -0.2474093 -0.2742275 ] [ 0.8323453 1.5228447 0.2808204 ] [ 0.3616928 -0.64942 0.5684643 ] [ -0.6882884 0.3846555 -0.4757834 ] [ 0.0577158 0.2568195 -0.3416832 ] [ -0.6039581 -1.2273525 -0.0551022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.109655831676748e-09 -6.430784477034624e-11 4.766661299368012e-10 ] [ 1.174532128712154e-09 -3.963933962284934e-10 -4.39360889280432e-10 ] [ 1.333564180092762e-09 2.439866175449189e-09 4.499238795237043e-10 ] [ 5.794957480716902e-10 -1.040485541079936e-09 9.107802112194376e-10 ] [ -1.102759582847839e-09 6.162860491621343e-10 -7.622890400447347e-10 ] [ 9.247090541076864e-11 4.114701986655456e-10 -5.474368347601305e-10 ] [ -9.676475477627886e-10 -1.966435480980432e-09 -8.828345659464575e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -5.852816158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.377245215676386e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.798652 1.8630957 0.9092601 ] [ 2.5039679 3.6935107 2.3601371 ] [ 4.7889643 3.1009651 1.411301 ] [ 4.0853516 1.0958374 2.7456168 ] [ 5.3987509 0.7434494 4.6027689 ] [ 5.0341773 2.9050454 3.9007774 ] [ 4.4207199 4.9560003 2.8840314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.798652e-10 1.8630957e-10 9.092601e-11 ] [ 2.5039679e-10 3.6935107e-10 2.3601371e-10 ] [ 4.7889643e-10 3.1009651e-10 1.411301e-10 ] [ 4.0853516e-10 1.0958374e-10 2.7456168e-10 ] [ 5.398750899999999e-10 7.434494000000001e-11 4.6027689e-10 ] [ 5.0341773e-10 2.9050454e-10 3.9007774e-10 ] [ 4.4207199e-10 4.956000300000001e-10 2.8840314e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 2.42e-05 -1.69e-05 ] [ -1.4e-05 -1.37e-05 -8.5e-06 ] [ -1.31e-05 3e-06 -3.03e-05 ] [ 2.26e-05 -8.7e-06 3.42e-05 ] [ -1.77e-05 -1e-06 9.2e-06 ] [ 2.2e-05 1.32e-05 -9.3e-06 ] [ 4.7e-06 -1.7e-05 2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.2097947936e-15 3.877267422336e-14 -2.707678489152e-14 ] [ -2.24304726912e-14 -2.194981970496e-14 -1.36185012768e-14 ] [ -2.098851373248e-14 4.8065298624e-15 -4.854595161024e-14 ] [ 3.620919163008e-14 -1.393893660096e-14 5.479444043136e-14 ] [ -2.835852618816e-14 -1.6021766208e-15 1.474002491136e-14 ] [ 3.52478856576e-14 2.114873139456e-14 -1.490024257344e-14 ] [ 7.53023011776e-15 -2.72370025536e-14 3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.661262158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.227469511685566e-18 } }