{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0110124 -6.0841931 -3.7993689 ] [ 60.4283299 19.1122613 -18.6755942 ] [ -31.4226266 2.2977405 22.6545136 ] [ -29.7044204 -319.3399819 223.5967878 ] [ 89.3070602 -236.0526238 -69.0349232 ] [ -78.545936 529.7621262 -132.5887463 ] [ -8.0513946 10.3046708 -22.1526687 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.221997051418898e-09 -9.747951941252677e-09 -6.087260025374613e-09 ] [ 9.681685739976961e-08 3.062121822548062e-08 -2.992160040678808e-08 ] [ -5.034459770264819e-08 3.681386109765303e-09 3.629653204551565e-08 ] [ -4.759172789929458e-08 -5.116390530868752e-07 3.582415458991387e-07 ] [ 1.430856839248182e-07 -3.781979951308577e-07 -1.106061399697635e-07 ] [ -1.258444623180531e-07 8.487724931829391e-07 -2.124305895030425e-07 ] [ -1.289975619295537e-08 1.650990264080043e-08 -3.549248787946793e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 69.659742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.116072100433598e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.6382359 1.5277266 0.7406047 ] [ 3.169907 0.4920407 2.8744309 ] [ 1.747631 3.3372613 3.1379916 ] [ 5.3474953 2.0343144 1.8522732 ] [ 4.1933187 2.4859577 4.7112108 ] [ 4.4024811 4.787382 2.9645603 ] [ 3.458561 3.6682242 0.4638883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6382359e-10 1.5277266e-10 7.406047e-11 ] [ 3.169907e-10 4.920407e-11 2.8744309e-10 ] [ 1.747631e-10 3.3372613e-10 3.1379916e-10 ] [ 5.3474953e-10 2.0343144e-10 1.8522732e-10 ] [ 4.1933187e-10 2.4859577e-10 4.7112108e-10 ] [ 4.4024811e-10 4.787382e-10 2.9645603e-10 ] [ 3.458561e-10 3.6682242e-10 4.638883e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 5.2e-06 6.4e-06 ] [ -7.8e-06 -8.45e-05 -1.53e-05 ] [ -1.15e-05 3.78e-05 -7.9e-06 ] [ -7.3e-06 3.33e-05 2.06e-05 ] [ 2.44e-05 3.2e-05 -5.9e-06 ] [ 2.9e-06 -2.33e-05 1.1e-05 ] [ -8e-07 -6e-07 -8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 8.33131842816e-15 1.025393037312e-14 ] [ -1.249697764224e-14 -1.353839244576e-13 -2.451330229824e-14 ] [ -1.84250311392e-14 6.056227626623999e-14 -1.265719530432e-14 ] [ -1.169588933184e-14 5.335248147264001e-14 3.300483838848e-14 ] [ 3.909310954752e-14 5.12696518656e-14 -9.45284206272e-15 ] [ 4.646312200320001e-15 -3.733071526464e-14 1.76239428288e-14 ] [ -1.28174129664e-15 -9.6130597248e-16 -1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.780386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.008949537879963e-18 } }