{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.788482 -2.4760755 -1.0988706 ] [ -0.8546036 2.3520196 2.2933548 ] [ 0.5045229 1.8961416 -1.4955273 ] [ -0.5883377 -0.4023805 -0.5869834 ] [ 0.2962034 -2.2363622 -0.1571061 ] [ -0.8319554 -0.8307672 -0.2585486 ] [ -0.3143116 1.6974242 1.3036812 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.865464070729588e-09 -3.967110310119866e-09 -1.76058479910956e-09 ] [ -1.369225919252282e-09 3.768350845830027e-09 3.674359474031743e-09 ] [ 8.083348016979184e-10 3.037953766275374e-09 -2.396098895569108e-09 ] [ -9.426209158413017e-10 -6.446846350772368e-10 -9.404510880258755e-10 ] [ 4.745701663913556e-10 -3.583047262000834e-09 -2.517117224788674e-10 ] [ -1.332939502410124e-09 -1.331035796133605e-09 -4.142405256734124e-10 ] [ -5.035827013151544e-10 2.719573391226143e-09 2.088727556825081e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.505022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.285266712805594e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5935289 1.3402114 2.5899752 ] [ 1.8873879 3.1418542 4.1331606 ] [ 2.4484211 3.6646522 1.7522021 ] [ 4.6957565 2.5207077 2.0305027 ] [ 4.1347675 1.9979817 4.4114916 ] [ 4.3945489 4.8704162 2.5571332 ] [ 3.8682792 4.3801235 4.7903957 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5935289e-10 1.3402114e-10 2.5899752e-10 ] [ 1.8873879e-10 3.1418542e-10 4.1331606e-10 ] [ 2.4484211e-10 3.6646522e-10 1.7522021e-10 ] [ 4.6957565e-10 2.5207077e-10 2.0305027e-10 ] [ 4.1347675e-10 1.9979817e-10 4.4114916e-10 ] [ 4.3945489e-10 4.870416200000001e-10 2.5571332e-10 ] [ 3.8682792e-10 4.3801235e-10 4.790395700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.58e-05 1.2e-06 4.94e-05 ] [ 1.39e-05 6e-07 1.2e-05 ] [ 1.96e-05 4.9e-06 5.7e-06 ] [ 1.62e-05 3.52e-05 5.15e-05 ] [ -6.21e-05 -3.99e-05 -4.03e-05 ] [ -1.47e-05 4.3e-05 -5.48e-05 ] [ 1.13e-05 -4.49e-05 -2.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.53143908172e-14 1.9226119608e-15 7.91475257196e-14 ] [ 2.22702552126e-14 9.613059803999998e-16 1.9226119608e-14 ] [ 3.140266202639999e-14 7.850665506599998e-15 9.1324068138e-15 ] [ 2.59552614708e-14 5.63966175168e-14 8.251209665099998e-14 ] [ -9.949516897139999e-14 -6.392684769659999e-14 -6.456771835019998e-14 ] [ -2.35519965198e-14 6.889359526199999e-14 -8.779927954319999e-14 ] [ 1.81045959642e-14 -7.193773086659999e-14 -3.78113685624e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043210034805e-18 } }