{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.8242594 -20.1920245 4.0530142 ] [ -4.8293961 6.8669533 -26.4398847 ] [ -7.2480415 22.4525052 10.4567719 ] [ 8.5691373 -14.2199033 -2.0909127 ] [ 7.4500583 -8.1144827 21.3401755 ] [ 11.8825013 13.206952 -7.3191642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.535325845215464e-08 -3.235118958052081e-08 6.493644595010415e-09 ] [ -7.737545524002699e-09 1.100207203338541e-08 -4.236136512298762e-08 ] [ -1.161264263788816e-08 3.597287890983044e-08 1.67535954672184e-08 ] [ 1.372927144248523e-08 -2.278279661729677e-08 -3.350011444073804e-09 ] [ 1.193630923185699e-08 -1.300083447182606e-08 3.419073026986895e-08 ] [ 1.903786577948561e-08 2.11598697264278e-08 -1.172659376503634e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0674167 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.132324980619149e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.278556 0.5858771 2.5602502 ] [ 1.1098008 1.3579007 0.60441 ] [ 0.7256428 2.9529643 2.5207296 ] [ 3.3035345 0.1965311 1.037585 ] [ 2.1445993 0.9612579 3.1401993 ] [ 3.0268744 2.7028394 1.5425271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.78556e-11 5.858771000000001e-11 2.5602502e-10 ] [ 1.1098008e-10 1.3579007e-10 6.044100000000001e-11 ] [ 7.256428000000001e-11 2.9529643e-10 2.5207296e-10 ] [ 3.3035345e-10 1.965311e-11 1.037585e-10 ] [ 2.1445993e-10 9.612579000000001e-11 3.1401993e-10 ] [ 3.0268744e-10 2.7028394e-10 1.5425271e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-05 -0.0001081 0.0001203 ] [ 0.0001 4.39e-05 -1.6e-05 ] [ 3.06e-05 0.0001113 -1.6e-06 ] [ 3.35e-05 -1.54e-05 3.57e-05 ] [ -5.05e-05 -5.02e-05 -0.0001197 ] [ -2.86e-05 1.86e-05 -1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.36185012768e-13 -1.7319529270848e-13 1.9274184748224e-13 ] [ 1.6021766208e-13 7.033555365312e-14 -2.56348259328e-14 ] [ 4.902660459647999e-14 1.7832225789504e-13 -2.56348259328e-15 ] [ 5.36729167968e-14 -2.467351996032e-14 5.719770536256001e-14 ] [ -8.090991935040001e-14 -8.042926636416e-14 -1.9178054150976e-13 ] [ -4.582225135488e-14 2.980048514688e-14 -3.012092047104e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.324794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.576826301097612e-18 } }