{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.036246 0.517989 0.7873767 ] [ 1.003677 0.2248323 2.613371 ] [ 0.7358478 1.683575 1.603856 ] [ 2.917767 0.7228741 0.0191295 ] [ 2.564023 2.34008 0.1827334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.036246e-10 5.17989e-11 7.873767e-11 ] [ 1.003677e-10 2.248323e-11 2.613371e-10 ] [ 7.358478000000001e-11 1.683575e-10 1.603856e-10 ] [ 2.917767e-10 7.228741e-11 1.91295e-12 ] [ 2.564023e-10 2.34008e-10 1.827334e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.3966011 -896.9311641 -679.3700791 ] [ 3.6411587 -71.0816225 328.4972466 ] [ 323.5070777 817.9349909 23.0791119 ] [ -17.0860047 -578.3294108 -8.6793142 ] [ -324.4588328 728.4072065 336.4730349 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.306589770140356e-08 -1.437042141587948e-06 -1.088470857605067e-06 ] [ 5.833779341762521e-09 -1.138853137380312e-07 5.263106084996923e-07 ] [ 5.183154765542691e-07 1.310476319754241e-06 3.697681351500707e-08 ] [ -2.737479727321892e-08 -9.265858611047991e-07 -1.390579429581746e-08 ] [ -5.198403563242162e-07 1.167036996676538e-06 5.390892300464025e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 448.19002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.180795717198844e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8188675 -0.5325966 0.3473355 ] [ 0.8167053 -0.031131 3.4378086 ] [ 0.4533874 2.5185047 1.6573997 ] [ 3.2394188 0.4723475 -0.6740469 ] [ 2.9291817 3.0622258 0.4379698 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.188675e-11 -5.325966e-11 3.473355e-11 ] [ 8.167053e-11 -3.1131e-12 3.4378086e-10 ] [ 4.533874e-11 2.5185047e-10 1.6573997e-10 ] [ 3.2394188e-10 4.723475e-11 -6.740469e-11 ] [ 2.9291817e-10 3.0622258e-10 4.379698e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-06 3.1e-06 7e-07 ] [ -1.8e-06 5e-07 4e-07 ] [ -6.6e-06 -2.8e-06 3.3e-06 ] [ -2.5e-06 -7e-07 -1.7e-06 ] [ 6.3e-06 -1e-07 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.370012455680001e-15 4.96674752448e-15 1.12152363456e-15 ] [ -2.88391791744e-15 8.010883104e-16 6.408706483200001e-16 ] [ -1.057436569728e-14 -4.48609453824e-15 5.28718284864e-15 ] [ -4.005441552e-15 -1.12152363456e-15 -2.72370025536e-15 ] [ 1.009371271104e-14 -1.6021766208e-16 -4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }