{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9356078 -1.044099 0.9014796 ] [ 1.3593027 -3.6677067 3.2163058 ] [ -8.5495927 2.3849088 4.0105397 ] [ -1.4644754 5.9889517 -4.1027942 ] [ 0.9884677 -2.3897821 -11.4001822 ] [ 12.7915655 -12.8960129 11.0805547 ] [ -3.1896599 11.6237402 -3.7059034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.101185564198123e-09 -1.672831007600659e-09 1.444329539248136e-09 ] [ 2.177843006530316e-09 -5.876313926691519e-09 5.153089958103441e-09 ] [ -1.369795754130235e-08 3.821045122100183e-09 6.425592944130245e-09 ] [ -2.346348247616729e-09 9.595358396840416e-09 -6.573400947193839e-09 ] [ 1.583699839355948e-09 -3.828853009426328e-09 -1.826510539370031e-08 ] [ 2.049434718753186e-08 -2.066169036991521e-08 1.775300568583556e-08 ] [ -5.110398520083266e-09 1.862328479469312e-08 -5.937511786423231e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.457386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.156110922628123e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0228562 1.5298524 2.2348822 ] [ 1.9274302 1.4629635 4.7348652 ] [ 2.2351161 3.9174725 5.4066626 ] [ 0.98927 3.5997901 3.1891097 ] [ 4.2573973 2.5389282 2.2736162 ] [ 4.2986599 2.533776 4.7759695 ] [ 3.3605033 4.6705943 3.2302158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0228562e-10 1.5298524e-10 2.2348822e-10 ] [ 1.9274302e-10 1.4629635e-10 4.7348652e-10 ] [ 2.2351161e-10 3.9174725e-10 5.4066626e-10 ] [ 9.8927e-11 3.5997901e-10 3.1891097e-10 ] [ 4.2573973e-10 2.5389282e-10 2.2736162e-10 ] [ 4.2986599e-10 2.533776e-10 4.7759695e-10 ] [ 3.3605033e-10 4.670594300000001e-10 3.2302158e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 1.7e-06 3.9e-06 ] [ -1.5e-06 -2.4e-06 -3.1e-06 ] [ -5e-07 4.8e-06 -2.3e-06 ] [ -1.1e-06 -9e-07 -5e-07 ] [ -2.8e-06 1.2e-06 3.7e-06 ] [ 3.5e-06 -2.3e-06 -4.1e-06 ] [ -1e-07 -2.1e-06 2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 2.72370025536e-15 6.24848882112e-15 ] [ -2.4032649312e-15 -3.84522388992e-15 -4.96674752448e-15 ] [ -8.010883104e-16 7.69044777984e-15 -3.68500622784e-15 ] [ -1.76239428288e-15 -1.44195895872e-15 -8.010883104e-16 ] [ -4.48609453824e-15 1.92261194496e-15 5.928053496960001e-15 ] [ 5.6076181728e-15 -3.68500622784e-15 -6.568924145279999e-15 ] [ -1.6021766208e-16 -3.36457090368e-15 3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554916388474e-18 } }