{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6683186 5.4726091 3.100396 ] [ 2.5068145 -3.1299008 -4.0699312 ] [ -0.2125633 -5.5071832 -3.903207 ] [ 1.9895515 -0.9713902 2.1686195 ] [ -2.221535 -5.9804208 4.6935972 ] [ -0.4554664 1.0146826 -3.0603693 ] [ 4.0615173 9.1016032 1.0708947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.081647614987591e-09 8.768086427035769e-09 4.967382027347063e-09 ] [ 4.016359617672393e-09 -5.014653928497907e-09 -6.52074867062758e-09 ] [ -3.405639525059322e-10 -8.823480242197348e-09 -6.253627053065237e-09 ] [ 3.187612925439651e-09 -1.556338680936587e-09 3.474511490936763e-09 ] [ -3.55929146861319e-09 -9.581690467247587e-09 7.519971763247824e-09 ] [ -7.297376236520975e-10 1.625700752646368e-09 -4.903252183870936e-09 ] [ 6.507268116646769e-09 1.458237597897963e-08 1.71576246581444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.161533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.108710064021992e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8433727 4.2026107 3.2940973 ] [ 5.8183139 2.3197167 2.035126 ] [ 3.5764111 1.5927133 1.5501295 ] [ 5.6058085 2.1400367 4.562996 ] [ 3.2591088 1.8775645 3.9694091 ] [ 2.2166307 3.5023044 1.0997562 ] [ 5.2404604 4.3770917 3.4098953 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8433727e-10 4.2026107e-10 3.2940973e-10 ] [ 5.8183139e-10 2.3197167e-10 2.035126e-10 ] [ 3.5764111e-10 1.5927133e-10 1.5501295e-10 ] [ 5.6058085e-10 2.1400367e-10 4.562996e-10 ] [ 3.2591088e-10 1.8775645e-10 3.9694091e-10 ] [ 2.2166307e-10 3.5023044e-10 1.0997562e-10 ] [ 5.2404604e-10 4.377091700000001e-10 3.4098953e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 1.62e-05 1.95e-05 ] [ 7.9e-06 -5.1e-06 1.34e-05 ] [ -1e-07 -7.7e-06 7.5e-06 ] [ -1.31e-05 -1.12e-05 -1.75e-05 ] [ 3.1e-06 -2.6e-06 -1.75e-05 ] [ -3.7e-06 -1.23e-05 -2.6e-06 ] [ 8.8e-06 2.27e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6463122386e-15 2.59552614708e-14 3.1242444363e-14 ] [ 1.26571954086e-14 -8.1711008334e-15 2.14691668956e-14 ] [ -1.602176634e-16 -1.23367600818e-14 1.2016324755e-14 ] [ -2.09885139054e-14 -1.79443783008e-14 -2.8038091095e-14 ] [ 4.9667475654e-15 -4.165659248399999e-15 -2.8038091095e-14 ] [ -5.9280535458e-15 -1.97067725982e-14 -4.165659248399999e-15 ] [ 1.40991543792e-14 3.636940959179999e-14 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.082717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.897170665663458e-18 } }