{ "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" [ [ -3.4034438 -31.8964949 -26.2162874 ] [ 1.1634555 -11.8815337 18.7779343 ] [ -16.4614904 39.0640324 17.9636778 ] [ 15.1213977 -16.2861129 -8.5074579 ] [ 3.5800811 21.0001091 -2.0178668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.452918086566711e-09 -5.110381841424643e-08 -4.200312275645361e-08 ] [ 1.864061201441174e-09 -1.903631551338732e-08 3.008556732237841e-08 ] [ -2.637421506240364e-08 6.258747942545372e-08 2.878098459474398e-08 ] [ 2.422714986875889e-08 -2.609322933208929e-08 -1.363045014982027e-08 ] [ 5.735922238987947e-09 3.364588383426933e-08 -3.23297901084851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 19.849503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.180240964109946e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4865141 -0.8552339 0.7318124 ] [ 0.4010156 0.3656968 2.3969476 ] [ 1.0436621 2.5984658 2.1886157 ] [ 2.8000331 0.622959 -0.5056316 ] [ 2.5263358 2.7574627 0.3947225 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4865141e-10 -8.552339e-11 7.318124e-11 ] [ 4.010156e-11 3.656968e-11 2.3969476e-10 ] [ 1.0436621e-10 2.5984658e-10 2.1886157e-10 ] [ 2.8000331e-10 6.22959e-11 -5.056316e-11 ] [ 2.5263358e-10 2.7574627e-10 3.947225e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-07 4e-07 4e-07 ] [ 3e-07 -2e-07 -4e-07 ] [ 1e-07 -1e-07 -3e-07 ] [ -0.0 1e-07 1e-07 ] [ -2e-07 -2e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-16 6.408706483200001e-16 6.408706483200001e-16 ] [ 4.8065298624e-16 -3.2043532416e-16 -6.408706483200001e-16 ] [ 1.6021766208e-16 -1.6021766208e-16 -4.8065298624e-16 ] [ 0.0 1.6021766208e-16 1.6021766208e-16 ] [ -3.2043532416e-16 -3.2043532416e-16 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.4797183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.198382979042992e-18 } }