{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.6874571 -0.6788859 -3.9467868 ] [ -4.2324174 7.4335293 8.6387109 ] [ 1.0664889 2.7332851 -0.1586266 ] [ 4.1929565 -5.9996322 8.585726 ] [ -6.5481616 6.687969 -2.2046758 ] [ -2.8869773 -8.4108314 -1.6144709 ] [ -1.2793461 -1.7654339 -9.2998769 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.552101728062297e-08 -1.087695117170767e-09 -6.323449538242045e-09 ] [ -6.781080207747123e-09 1.190982685449179e-08 1.384074063783013e-08 ] [ 1.708703581922709e-09 4.379205485200989e-09 -2.541478299569933e-10 ] [ 6.717856876331396e-09 -9.61247044423887e-09 1.37558494697947e-08 ] [ -1.049131142474032e-08 1.071530757243515e-08 -3.532280023203537e-09 ] [ -4.625447534840308e-09 -1.347563743057053e-08 -2.586667530941935e-09 ] [ -2.049738411331659e-09 -2.828536920147765e-09 -1.490004534549798e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -37.200893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.960240103748238e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5928625 2.2601012 2.7765606 ] [ 2.5853438 3.7106785 1.1150623 ] [ 2.2990322 4.4030259 3.2082381 ] [ 4.0534098 2.0412626 1.1383542 ] [ 4.6744135 1.7018529 3.2459293 ] [ 4.2880776 3.7472269 2.5165501 ] [ 3.5901476 3.161505 4.5251886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5928625e-10 2.2601012e-10 2.7765606e-10 ] [ 2.5853438e-10 3.7106785e-10 1.1150623e-10 ] [ 2.2990322e-10 4.4030259e-10 3.2082381e-10 ] [ 4.0534098e-10 2.0412626e-10 1.1383542e-10 ] [ 4.6744135e-10 1.7018529e-10 3.2459293e-10 ] [ 4.2880776e-10 3.7472269e-10 2.5165501e-10 ] [ 3.5901476e-10 3.161505e-10 4.5251886e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.35e-05 3.91e-05 -3.98e-05 ] [ -5.2e-06 -1.89e-05 -5.62e-05 ] [ -3.4e-06 -1.4e-06 6.54e-05 ] [ 7.6e-06 -1.32e-05 7.77e-05 ] [ -1.66e-05 4.06e-05 1.98e-05 ] [ 1.8e-06 1.61e-05 -2.01e-05 ] [ 3.93e-05 -6.23e-05 -4.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.76511505888e-14 6.264510587328001e-14 -6.376662950784e-14 ] [ -8.33131842816e-15 -3.028113813312e-14 -9.004232608896e-14 ] [ -5.44740051072e-15 -2.24304726912e-15 1.0478235100032e-13 ] [ 1.217654231808e-14 -2.114873139456e-14 1.2448912343616e-13 ] [ -2.659613190528e-14 6.504837080448e-14 3.172309709184e-14 ] [ 2.88391791744e-15 2.579504359488e-14 -3.220375007808e-14 ] [ 6.296554119743999e-14 -9.981560347584e-14 -7.482164819136e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }