{ "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" [ [ 1.6621853 -0.4063736 0.4602156 ] [ -4.2837901 0.1895063 -1.2278406 ] [ -1.5986922 0.4604134 -0.3425325 ] [ 2.5611557 1.9124195 -2.1432435 ] [ 1.6591413 -2.1559656 3.253401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.663114427097434e-09 -6.510822812303309e-10 7.373466748474445e-10 ] [ -6.863388346634494e-09 3.03622563354311e-10 -1.967217503389044e-09 ] [ -2.561387266695318e-09 7.376635853830387e-10 -5.48797563364176e-10 ] [ 4.103423784768658e-09 3.064033812062025e-09 -3.433854628381565e-09 ] [ 2.658237401463719e-09 -3.454237679569045e-09 5.212523020287341e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0267084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.125802791965898e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2736014 2.110244 1.6696822 ] [ 2.8720487 4.0230397 2.9792627 ] [ 5.4635995 2.3621939 2.4915466 ] [ 4.9601056 4.6224888 2.0760884 ] [ 4.2697749 2.8451287 4.4604551 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2736014e-10 2.110244e-10 1.6696822e-10 ] [ 2.8720487e-10 4.0230397e-10 2.9792627e-10 ] [ 5.4635995e-10 2.3621939e-10 2.4915466e-10 ] [ 4.9601056e-10 4.622488800000001e-10 2.0760884e-10 ] [ 4.2697749e-10 2.8451287e-10 4.4604551e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.11e-05 1.52e-05 1.32e-05 ] [ 1.21e-05 -3.3e-06 -1e-07 ] [ -6.3e-06 9.6e-06 4e-06 ] [ -1.17e-05 -1.82e-05 -8e-07 ] [ -5.3e-06 -3.4e-06 -1.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.778416049088e-14 2.435308463616e-14 2.114873139456e-14 ] [ 1.938633711168e-14 -5.28718284864e-15 -1.6021766208e-16 ] [ -1.009371271104e-14 1.538089555968e-14 6.4087064832e-15 ] [ -1.874546646336e-14 -2.915961449856e-14 -1.28174129664e-15 ] [ -8.491536090240001e-15 -5.44740051072e-15 -2.611547891904e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }