{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4833016 -8.8515303 2.3339178 ] [ -2.0714258 0.2967028 -5.1789743 ] [ -1.4236953 0.7669996 3.7548663 ] [ 5.0813092 8.6562686 -1.1512207 ] [ 0.7993272 -0.7004477 1.5147306 ] [ -0.3219637 0.9656258 -1.7410975 ] [ 1.41975 -1.1336188 0.4677777 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.580864386715233e-09 -1.418171490496281e-08 3.73934853402897e-09 ] [ -3.318789988481937e-09 4.753702894858982e-10 -8.297631543184045e-09 ] [ -2.281011324802843e-09 1.228868827282952e-09 6.0159590000898e-09 ] [ 8.14115480329595e-09 1.386887117428515e-08 -1.844458890921011e-09 ] [ 1.280663352209526e-09 -1.122240929033132e-09 2.426865954130357e-09 ] [ -5.15842712886265e-10 1.547103081201297e-09 -2.789545709033328e-09 ] [ 2.2746902573808e-09 -1.816257538259351e-09 7.494624946715962e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.323765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.935790788803332e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7627352 0.484211 2.2650458 ] [ 1.2711555 2.3393007 2.6225441 ] [ 1.5509304 2.7071558 4.895078 ] [ 3.5044136 2.724508 1.8113005 ] [ 3.154619 0.9994535 5.4481906 ] [ 4.6392331 1.4103632 3.5415173 ] [ 3.8962612 3.2396946 4.9940987 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7627352e-10 4.84211e-11 2.2650458e-10 ] [ 1.2711555e-10 2.3393007e-10 2.6225441e-10 ] [ 1.5509304e-10 2.7071558e-10 4.895078e-10 ] [ 3.5044136e-10 2.724508e-10 1.8113005e-10 ] [ 3.154619e-10 9.994535e-11 5.4481906e-10 ] [ 4.6392331e-10 1.4103632e-10 3.5415173e-10 ] [ 3.8962612e-10 3.2396946e-10 4.994098700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.25e-05 -1.81e-05 1.15e-05 ] [ -7.01e-05 3.19e-05 3.16e-05 ] [ 2.16e-05 -2.66e-05 -1.69e-05 ] [ 4.76e-05 -5.4e-06 -5.58e-05 ] [ -4.25e-05 1.79e-05 4.91e-05 ] [ 2.83e-05 2.78e-05 -5.12e-05 ] [ -7.4e-06 -2.76e-05 3.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.604897396800001e-14 -2.899939683648e-14 1.84250311392e-14 ] [ -1.1231258111808e-13 5.110943420352001e-14 5.062878121728e-14 ] [ 3.460701500928e-14 -4.261789811328e-14 -2.707678489152e-14 ] [ 7.626360715008e-14 -8.65175375232e-15 -8.940145544064e-14 ] [ -6.8092506384e-14 2.867896151232001e-14 7.866687208128001e-14 ] [ 4.534159836864e-14 4.454051005824e-14 -8.203144298496001e-14 ] [ -1.185610699392e-14 -4.422007473408001e-14 5.062878121728e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.642944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.467581888208364e-18 } }