{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8499691 -1.4299113 -0.7922958 ] [ -7.1594741 0.9117702 -1.4027425 ] [ -0.2482998 -0.6202751 -0.6890522 ] [ 4.0796516 3.71824 -3.0787043 ] [ 2.4781531 -2.5798237 5.9627947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.361800620422417e-09 -2.290970454677735e-09 -1.269397807518033e-09 ] [ -1.147074202024312e-08 1.46081689798214e-09 -2.247441238502544e-09 ] [ -3.978201345093158e-10 -9.93790263684382e-10 -1.103983325350806e-09 ] [ 6.536322414529313e-09 5.957277198523392e-09 -4.93262805181643e-09 ] [ 3.970438959583045e-09 -4.133333217925752e-09 9.553450262970149e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8694157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.581254709549647e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1792217 1.9946826 1.5535895 ] [ 2.6862299 3.9337995 2.8548736 ] [ 5.4232957 2.1774514 2.3455839 ] [ 5.0694716 4.6791653 2.4545641 ] [ 4.4809112 3.1779962 4.468424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1792217e-10 1.9946826e-10 1.5535895e-10 ] [ 2.6862299e-10 3.9337995e-10 2.8548736e-10 ] [ 5.4232957e-10 2.1774514e-10 2.3455839e-10 ] [ 5.069471600000001e-10 4.6791653e-10 2.4545641e-10 ] [ 4.480911200000001e-10 3.1779962e-10 4.468424e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.08e-05 -5.4e-06 -2.98e-05 ] [ 6.1e-06 -1.93e-05 -1.14e-05 ] [ 2.79e-05 -3.24e-05 -1.91e-05 ] [ 1.8e-06 2.82e-05 8.7e-06 ] [ 5.1e-06 2.89e-05 5.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.536880612864e-14 -8.65175375232e-15 -4.774486329984001e-14 ] [ 9.77327738688e-15 -3.092200878144e-14 -1.826481347712e-14 ] [ 4.470072772032e-14 -5.191052251392001e-14 -3.060157345728e-14 ] [ 2.88391791744e-15 4.518138070656001e-14 1.393893660096e-14 ] [ 8.17110076608e-15 4.630290434112001e-14 8.25120959712e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.878088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903079489340503e-18 } }