{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9952622 10.3952951 0.1022928 ] [ 5.144612 -2.546166 -4.3502994 ] [ -11.192905 -15.6006075 -3.8102192 ] [ 4.2406502 -4.7844612 1.7030988 ] [ 1.8010262 3.3720967 -11.8276065 ] [ 14.7180005 10.9416133 6.118855 ] [ -3.7161217 -1.7777705 12.0638786 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.761635203640598e-08 1.66550987755368e-08 1.638911326361702e-10 ] [ 8.242577069487131e-09 -4.079407637875853e-09 -6.969947992160268e-09 ] [ -1.793301070983543e-08 -2.499492860677714e-08 -6.10464412236328e-09 ] [ 6.794270607430844e-09 -7.665551877764714e-09 2.728665080272535e-09 ] [ 2.885562071088265e-09 5.402694495816832e-09 -1.894991461432212e-08 ] [ 2.358083630602271e-08 1.753039702309434e-08 9.803486427065184e-09 ] [ -5.953883307787552e-09 -2.848302332247927e-09 1.932846424908944e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4423898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.192402294044039e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5581591 5.811688 2.6588088 ] [ 5.7635924 3.4720044 0.803284 ] [ 3.3246995 2.4429466 2.8902015 ] [ 5.744114 2.7452906 3.0867522 ] [ 3.4488788 4.0435099 1.0445568 ] [ 5.3367493 4.8056986 4.2413078 ] [ 2.8323469 4.138172 4.521244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5581591e-10 5.811688e-10 2.6588088e-10 ] [ 5.763592400000001e-10 3.4720044e-10 8.03284e-11 ] [ 3.3246995e-10 2.4429466e-10 2.8902015e-10 ] [ 5.744114e-10 2.7452906e-10 3.0867522e-10 ] [ 3.4488788e-10 4.0435099e-10 1.0445568e-10 ] [ 5.3367493e-10 4.8056986e-10 4.241307800000001e-10 ] [ 2.8323469e-10 4.138172e-10 4.521244e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.71e-05 -2.99e-05 -2.35e-05 ] [ 4.48e-05 3.86e-05 -4.69e-05 ] [ -4.37e-05 1.64e-05 2.5e-05 ] [ 1.6e-06 2.67e-05 2.36e-05 ] [ -1.64e-05 -1.94e-05 9.7e-06 ] [ 6.56e-05 -4.26e-05 1.61e-05 ] [ -3.48e-05 1.01e-05 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.739722021568e-14 -4.790508096192e-14 -3.76511505888e-14 ] [ 7.177751261183999e-14 6.184401756288e-14 -7.514208351552e-14 ] [ -7.001511832895999e-14 2.627569658112e-14 4.005441552e-14 ] [ 2.56348259328e-15 4.277811577536e-14 3.781136825088e-14 ] [ -2.627569658112e-14 -3.108222644352e-14 1.554111322176e-14 ] [ 1.0510278632448e-13 -6.825272404608e-14 2.579504359488e-14 ] [ -5.575574640383999e-14 1.618198387008e-14 -6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }