{ "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" [ [ 2.302316 2.639916 2.839286 ] [ 2.238062 3.048613 5.055223 ] [ 2.960065 4.797857 2.877262 ] [ 0.8426098 4.264099 3.709155 ] [ 4.78415 2.692863 2.00084 ] [ 4.277135 2.539995 4.347514 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.302316e-10 2.639916e-10 2.839286e-10 ] [ 2.238062e-10 3.048613e-10 5.055223e-10 ] [ 2.960065e-10 4.797856999999999e-10 2.877262e-10 ] [ 8.426098e-11 4.264099e-10 3.709155e-10 ] [ 4.78415e-10 2.692863e-10 2.00084e-10 ] [ 4.277135e-10 2.539995e-10 4.347514000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1732686 -1.887786 -2.4639687 ] [ -1.0896202 0.1067047 2.891929 ] [ 0.3040239 1.6684839 -0.4677687 ] [ 0.0402062 0.3850467 -0.2429097 ] [ -0.7929623 0.1430674 0.9052184 ] [ 1.711621 -0.4155168 -0.6225003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.776069000387469e-10 -3.024566594273549e-09 -3.947713045522969e-09 ] [ -1.74576400999142e-09 1.709597756694778e-10 4.633381032813524e-09 ] [ 4.870999847444371e-10 2.673205896761205e-09 -7.494480750820089e-10 ] [ 6.441743365120896e-11 6.169128206561915e-10 -3.891842423055418e-10 ] [ -1.270465658235796e-09 2.292192434786419e-10 1.450319757197983e-09 ] [ 2.742319149870317e-09 -6.657313025096294e-10 -9.973554271009862e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.073996279081939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.129438212371276e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8336094 2.0779841 2.7287329 ] [ 2.1927447 2.6111441 4.9690179 ] [ 3.5588872 4.939164 2.9828969 ] [ 1.3249521 4.2124206 3.5146457 ] [ 4.0674866 2.8047733 2.1968221 ] [ 4.4266578 3.3378569 4.4371645 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8336094e-10 2.0779841e-10 2.7287329e-10 ] [ 2.1927447e-10 2.6111441e-10 4.9690179e-10 ] [ 3.5588872e-10 4.939164e-10 2.9828969e-10 ] [ 1.3249521e-10 4.2124206e-10 3.5146457e-10 ] [ 4.0674866e-10 2.8047733e-10 2.1968221e-10 ] [ 4.4266578e-10 3.3378569e-10 4.4371645e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.64e-05 -8.1e-06 2e-06 ] [ -2.25e-05 -1.48e-05 -3.53e-05 ] [ -8.8e-06 3.16e-05 6.2e-06 ] [ 6.92e-05 -2.61e-05 1.13e-05 ] [ -1.57e-05 -2.7e-05 -3.3e-06 ] [ 1.42e-05 4.44e-05 1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.831922899712e-14 -1.297763062848e-14 3.2043532416e-15 ] [ -3.604897396800001e-14 -2.371221398784e-14 -5.655683471424e-14 ] [ -1.409915426304e-14 5.062878121728e-14 9.93349504896e-15 ] [ 1.1087062215936e-13 -4.181680980288e-14 1.810459581504e-14 ] [ -2.515417294656e-14 -4.32587687616e-14 -5.28718284864e-15 ] [ 2.275090801536e-14 7.113664196352e-14 3.060157345728e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.635338279081939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.063098386184439e-18 } }