{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1543097 -4.4405739 -10.1704741 ] [ 6.2573554 9.9999209 0.8417165 ] [ -8.5951378 -4.6844429 -2.2325128 ] [ 0.7435069 -3.3888811 -1.7970041 ] [ 6.0143487 -2.8995886 9.1801757 ] [ -3.5164519 4.3421202 1.3250134 ] [ 2.2506884 1.0714454 2.8530854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.05376129773955e-09 -7.114583744130253e-09 -1.629489595972218e-08 ] [ 1.002538861251372e-08 1.602163960782825e-08 1.348578508752261e-09 ] [ -1.377092894917016e-08 -7.505304957687198e-09 -3.576879843265914e-09 ] [ 1.191229382397774e-09 -5.429586113824217e-09 -2.879117980222199e-09 ] [ 9.636048955868275e-09 -4.645653103132771e-09 1.470826300255459e-08 ] [ -5.633977068764904e-09 6.956843526459406e-09 2.122905509216895e-09 ] [ 3.606000364894845e-09 1.716644784486784e-09 4.571146762686543e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.647553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.18657905278766e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6813147 1.5714602 2.0643956 ] [ 3.2994043 4.8946226 4.077266 ] [ 1.3255293 3.4998056 2.9953936 ] [ 4.4044648 3.0852294 1.1529773 ] [ 3.1695554 2.2760949 4.4494565 ] [ 2.848988 4.9523879 1.5838363 ] [ 5.2298586 3.3723895 3.4611579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6813147e-10 1.5714602e-10 2.0643956e-10 ] [ 3.2994043e-10 4.8946226e-10 4.077266e-10 ] [ 1.3255293e-10 3.4998056e-10 2.9953936e-10 ] [ 4.404464800000001e-10 3.0852294e-10 1.1529773e-10 ] [ 3.1695554e-10 2.2760949e-10 4.4494565e-10 ] [ 2.848988e-10 4.9523879e-10 1.5838363e-10 ] [ 5.2298586e-10 3.3723895e-10 3.4611579e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.51e-05 1.06e-05 -3.24e-05 ] [ 2.8e-05 1.92e-05 6e-07 ] [ -2.71e-05 -4.02e-05 4.37e-05 ] [ -2.5e-06 1.45e-05 5.93e-05 ] [ -3.5e-06 6.8e-06 -3.86e-05 ] [ -1.63e-05 1.5e-06 -6.58e-05 ] [ 4.66e-05 -1.24e-05 3.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.02146335134e-14 1.69830723204e-14 -5.19105229416e-14 ] [ 4.486094575199999e-14 3.076179137279999e-14 9.613059803999998e-16 ] [ -4.34189867814e-14 -6.44075006868e-14 7.001511890579999e-14 ] [ -4.005441585e-15 2.3231561193e-14 9.500907439619998e-14 ] [ -5.607618218999999e-15 1.08948011112e-14 -6.18440180724e-14 ] [ -2.61154791342e-14 2.403264951e-15 -1.054232225172e-13 ] [ 7.466143114439999e-14 -1.98669902616e-14 5.31922642488e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }