{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.9453287 -6.9975947 -3.19575 ] [ -12.5182486 -8.4321402 4.8029489 ] [ -7.6384258 14.0053721 -6.8990389 ] [ 10.3513992 -1.4168048 -6.4829398 ] [ 5.4192098 -11.2421826 6.1125354 ] [ 5.1453712 6.7918523 -1.2396429 ] [ 11.186023 7.2914979 6.9018873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.913852637091126e-08 -1.121138263017399e-08 -5.1201559359216e-09 ] [ -2.005644524028233e-08 -1.350977789174783e-08 7.695172438477076e-09 ] [ -1.223810723647554e-08 2.24390797442246e-08 -1.105347883156975e-08 ] [ 1.658476979080782e-08 -2.26997152679722e-09 -1.038681458161383e-08 ] [ 8.682531244770244e-09 -1.801196212848456e-08 9.793361311692375e-09 ] [ 8.24379344197764e-09 1.088174696698671e-08 -1.986126872520713e-09 ] [ 1.792198453033108e-08 1.16822674659923e-08 1.105804247145644e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3043484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.010067961585789e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6926387 2.4984428 2.0750611 ] [ 1.2047011 1.2549505 5.390641 ] [ 3.0526413 4.8437586 2.6048804 ] [ 4.7955422 2.3704756 0.756432 ] [ 3.2655045 1.9092854 4.3598616 ] [ 5.1814802 4.9077169 1.3048586 ] [ 3.6408609 4.3033342 4.9914132 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6926387e-10 2.4984428e-10 2.0750611e-10 ] [ 1.2047011e-10 1.2549505e-10 5.390641e-10 ] [ 3.0526413e-10 4.8437586e-10 2.6048804e-10 ] [ 4.7955422e-10 2.3704756e-10 7.56432e-11 ] [ 3.2655045e-10 1.9092854e-10 4.359861600000001e-10 ] [ 5.181480200000001e-10 4.907716899999999e-10 1.3048586e-10 ] [ 3.6408609e-10 4.3033342e-10 4.991413200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.2e-06 1.32e-05 -6.1e-06 ] [ 1.88e-05 -7.6e-06 1.32e-05 ] [ 9.2e-06 -4.1e-05 2e-07 ] [ -4.6e-06 -8.1e-06 2.62e-05 ] [ -2.63e-05 4.56e-05 -2.04e-05 ] [ 5.1e-06 2.32e-05 1.17e-05 ] [ 7e-06 -2.53e-05 -2.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.474002491136e-14 2.114873139456e-14 -9.77327738688e-15 ] [ 3.012092047104e-14 -1.217654231808e-14 2.114873139456e-14 ] [ 1.474002491136e-14 -6.56892414528e-14 3.2043532416e-16 ] [ -7.370012455680001e-15 -1.297763062848e-14 4.197702746496e-14 ] [ -4.213724512704e-14 7.305925390848e-14 -3.268440306432e-14 ] [ 8.17110076608e-15 3.717049760256e-14 1.874546646336e-14 ] [ 1.12152363456e-14 -4.053506850624e-14 -3.973398019584e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.434231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.273924717222661e-18 } }