{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.9808235 -10.125167 -9.8610644 ] [ -8.1618097 9.7501145 4.9452486 ] [ -1.9736138 -4.1257908 9.2770351 ] [ -0.1010341 1.3309718 -5.1989314 ] [ 1.9246476 2.3923408 3.0709217 ] [ 1.0537676 -2.3500044 -5.0077457 ] [ 2.2772189 3.1275351 2.7745361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.980159029778097e-09 -1.622230598274788e-08 -1.579916696804923e-08 ] [ -1.307666079249455e-08 1.562140563072459e-08 7.923161756241212e-09 ] [ -3.162077914899949e-09 -6.610245616532166e-09 1.486344887001785e-08 ] [ -1.618744742572194e-10 2.132451918472921e-09 -8.329606410848908e-09 ] [ 3.083625413404178e-09 3.832952530324866e-09 4.920158992583558e-09 ] [ 1.688321826386258e-09 -3.765122139477189e-09 -8.023293149553973e-09 ] [ 3.648506912083182e-09 5.010863659234853e-09 4.445296909609488e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.944266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.753464726148064e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6526292 1.7686085 1.5458625 ] [ 1.4051413 2.7895496 3.4010897 ] [ 2.5809209 1.6450519 5.202632 ] [ 3.3934316 3.9126184 0.7998791 ] [ 4.4174143 3.1977008 4.4989336 ] [ 4.1035204 1.0127429 3.3157092 ] [ 3.0563603 4.5792109 3.0679399 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6526292e-10 1.7686085e-10 1.5458625e-10 ] [ 1.4051413e-10 2.7895496e-10 3.4010897e-10 ] [ 2.5809209e-10 1.6450519e-10 5.202632e-10 ] [ 3.3934316e-10 3.9126184e-10 7.998791e-11 ] [ 4.4174143e-10 3.1977008e-10 4.4989336e-10 ] [ 4.1035204e-10 1.0127429e-10 3.3157092e-10 ] [ 3.0563603e-10 4.5792109e-10 3.0679399e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 2.3e-05 -1.62e-05 ] [ 5.53e-05 8.4e-06 -1.51e-05 ] [ -7.75e-05 2.55e-05 7.9e-05 ] [ -0.0001105 2.52e-05 -1.03e-05 ] [ -1.18e-05 0.0001361 0.0001694 ] [ 6.22e-05 -0.0002024 -0.0001391 ] [ 6.45e-05 -1.59e-05 -6.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874408519999e-14 3.6850062582e-14 -2.59552614708e-14 ] [ 8.86003678602e-14 1.34582837256e-14 -2.41928671734e-14 ] [ -1.24168689135e-13 4.0855504167e-14 1.26571954086e-13 ] [ -1.77040518057e-13 4.037485117679999e-14 -1.65024193302e-14 ] [ -1.89056842812e-14 2.180562398874e-13 2.714087217996e-13 ] [ 9.965538663479998e-14 -3.242805507215999e-13 -2.228627697894e-13 ] [ 1.03340392893e-13 -2.54746084806e-14 -1.084673581218e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.063306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894060680599201e-18 } }